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3-ethyl-1-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}urea
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ChemBase ID:
320268
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Molecular Formular:
C15H24N4O2
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Molecular Mass:
292.37666
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Monoisotopic Mass:
292.18992603
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SMILES and InChIs
SMILES:
N1(Cc2ncccc2)CC(OCC1)CCNC(=O)NCC
Canonical SMILES:
CCNC(=O)NCCC1OCCN(C1)Cc1ccccn1
InChI:
InChI=1S/C15H24N4O2/c1-2-16-15(20)18-8-6-14-12-19(9-10-21-14)11-13-5-3-4-7-17-13/h3-5,7,14H,2,6,8-12H2,1H3,(H2,16,18,20)
InChIKey:
RTNAGMNUWSOEHO-UHFFFAOYSA-N
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Cite this record
CBID:320268 http://www.chembase.cn/molecule-320268.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-ethyl-1-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}urea
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IUPAC Traditional name
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3-ethyl-1-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}urea
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Synonyms
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N-ethyl-N'-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}urea
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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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14.941266
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-0.5180004
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LogD (pH = 7.4)
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-0.061961703
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Log P
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-0.051530316
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Molar Refractivity
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81.2473 cm3
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Polarizability
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31.682753 Å3
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Polar Surface Area
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66.49 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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-0.6
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LOG S
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-0.83
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Polar Surface Area
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66.49 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent