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N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)pent-4-enamide
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ChemBase ID:
340850
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Molecular Formular:
C24H30N2O4
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Molecular Mass:
410.506
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Monoisotopic Mass:
410.22055745
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SMILES and InChIs
SMILES:
N(C(=O)CCC=C)(Cc1cnccc1)Cc1cc(OCC2COCC2)c(cc1)OC
Canonical SMILES:
C=CCCC(=O)N(Cc1cccnc1)Cc1ccc(c(c1)OCC1COCC1)OC
InChI:
InChI=1S/C24H30N2O4/c1-3-4-7-24(27)26(16-20-6-5-11-25-14-20)15-19-8-9-22(28-2)23(13-19)30-18-21-10-12-29-17-21/h3,5-6,8-9,11,13-14,21H,1,4,7,10,12,15-18H2,2H3
InChIKey:
HGBIANQRUPUNDD-UHFFFAOYSA-N
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Cite this record
CBID:340850 http://www.chembase.cn/molecule-340850.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)pent-4-enamide
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IUPAC Traditional name
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N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)pent-4-enamide
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Synonyms
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N-[4-methoxy-3-(tetrahydro-3-furanylmethoxy)benzyl]-N-(3-pyridinylmethyl)-4-pentenamide
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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)
H Acceptors
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5
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H Donor
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0
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LogD (pH = 5.5)
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2.5651927
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LogD (pH = 7.4)
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2.6364458
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Log P
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2.6374552
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Molar Refractivity
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116.7207 cm3
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Polarizability
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45.240437 Å3
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Polar Surface Area
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60.89 Å2
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Rotatable Bonds
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11
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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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0
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Log P
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1.62
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LOG S
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-3.3
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Polar Surface Area
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60.89 Å2
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Rotatable Bonds
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10
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent