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903822-32-2 molecular structure
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N-(2-amino-5-methoxyphenyl)-2-methylpropanamide

ChemBase ID: 311425
Molecular Formular: C11H16N2O2
Molecular Mass: 208.25694
Monoisotopic Mass: 208.12117776
SMILES and InChIs

SMILES:
N(C(=O)C(C)C)c1cc(ccc1N)OC
Canonical SMILES:
COc1ccc(c(c1)NC(=O)C(C)C)N
InChI:
InChI=1S/C11H16N2O2/c1-7(2)11(14)13-10-6-8(15-3)4-5-9(10)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey:
VEPITULHRQJKJM-UHFFFAOYSA-N

Cite this record

CBID:311425 http://www.chembase.cn/molecule-311425.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-amino-5-methoxyphenyl)-2-methylpropanamide
IUPAC Traditional name
N-(2-amino-5-methoxyphenyl)-2-methylpropanamide
Synonyms
N-(2-amino-5-methoxyphenyl)-2-methylpropanamide
CAS Number
903822-32-2
MDL Number
MFCD02031879

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4493747  LogD (pH = 7.4) 1.4676427 
Log P 1.4678811  Molar Refractivity 61.286 cm3
Polarizability 22.550024 Å3 Polar Surface Area 64.35 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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