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3-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]propanamide
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ChemBase ID:
470228
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Molecular Formular:
C21H27N3O3
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Molecular Mass:
369.45738
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Monoisotopic Mass:
369.20524174
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SMILES and InChIs
SMILES:
N1(C(CNC(=O)CCc2c(OC)cccc2)c2cnccc2)CCOCC1
Canonical SMILES:
COc1ccccc1CCC(=O)NCC(c1cccnc1)N1CCOCC1
InChI:
InChI=1S/C21H27N3O3/c1-26-20-7-3-2-5-17(20)8-9-21(25)23-16-19(18-6-4-10-22-15-18)24-11-13-27-14-12-24/h2-7,10,15,19H,8-9,11-14,16H2,1H3,(H,23,25)
InChIKey:
JXKBONKLTZXWGI-UHFFFAOYSA-N
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Cite this record
CBID:470228 http://www.chembase.cn/molecule-470228.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]propanamide
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IUPAC Traditional name
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3-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]propanamide
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Synonyms
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3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)propanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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15.447285
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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1.3093873
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LogD (pH = 7.4)
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1.67399
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Log P
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1.6813368
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Molar Refractivity
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104.3682 cm3
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Polarizability
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40.80817 Å3
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Polar Surface Area
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63.69 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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0.59
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LOG S
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-1.1
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Polar Surface Area
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63.69 Å2
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Rotatable Bonds
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8
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent