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N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide

ChemBase ID: 420173
Molecular Formular: C18H21N3O3
Molecular Mass: 327.37764
Monoisotopic Mass: 327.15829155
SMILES and InChIs

SMILES:
c1(=O)n(CC(=O)N(C2CC2)Cc2cc(OCC)ccc2)cccn1
Canonical SMILES:
CCOc1cccc(c1)CN(C(=O)Cn1cccnc1=O)C1CC1
InChI:
InChI=1S/C18H21N3O3/c1-2-24-16-6-3-5-14(11-16)12-21(15-7-8-15)17(22)13-20-10-4-9-19-18(20)23/h3-6,9-11,15H,2,7-8,12-13H2,1H3
InChIKey:
BBHKKLVPHHFKQI-UHFFFAOYSA-N

Cite this record

CBID:420173 http://www.chembase.cn/molecule-420173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide
IUPAC Traditional name
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
Synonyms
N-cyclopropyl-N-(3-ethoxybenzyl)-2-(2-oxopyrimidin-1(2H)-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 16.157276  H Acceptors
H Donor LogD (pH = 5.5) 1.0848367 
LogD (pH = 7.4) 1.0848368  Log P 1.0848368 
Molar Refractivity 90.7113 cm3 Polarizability 34.55755 Å3
Polar Surface Area 62.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.33  LOG S -2.72 
Polar Surface Area 64.43 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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