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312629-04-2 molecular structure
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3-amino-N-cyclopropyl-4-methoxybenzamide

ChemBase ID: 123803
Molecular Formular: C11H14N2O2
Molecular Mass: 206.24106
Monoisotopic Mass: 206.1055277
SMILES and InChIs

SMILES:
C(=O)(NC1CC1)c1cc(c(cc1)OC)N
Canonical SMILES:
COc1ccc(cc1N)C(=O)NC1CC1
InChI:
InChI=1S/C11H14N2O2/c1-15-10-5-2-7(6-9(10)12)11(14)13-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H,13,14)
InChIKey:
YFKWIIUCAHLWQU-UHFFFAOYSA-N

Cite this record

CBID:123803 http://www.chembase.cn/molecule-123803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-cyclopropyl-4-methoxybenzamide
IUPAC Traditional name
3-amino-N-cyclopropyl-4-methoxybenzamide
Synonyms
3-amino-N-cyclopropyl-4-methoxybenzamide
CAS Number
312629-04-2
MDL Number
MFCD09046427
PubChem SID
162218156
PubChem CID
11148432

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11148432 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.305121  H Acceptors
H Donor LogD (pH = 5.5) 0.52421194 
LogD (pH = 7.4) 0.5265002  Log P 0.5265295 
Molar Refractivity 58.4079 cm3 Polarizability 21.625547 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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