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N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

ChemBase ID: 410282
Molecular Formular: C20H22N2O4
Molecular Mass: 354.39968
Monoisotopic Mass: 354.15795719
SMILES and InChIs

SMILES:
C(=O)(c1cc2c(NC(=O)CO2)cc1)N(CCOc1c(ccc(c1)C)C)C
Canonical SMILES:
O=C1COc2c(N1)ccc(c2)C(=O)N(CCOc1cc(C)ccc1C)C
InChI:
InChI=1S/C20H22N2O4/c1-13-4-5-14(2)17(10-13)25-9-8-22(3)20(24)15-6-7-16-18(11-15)26-12-19(23)21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)
InChIKey:
GUVGBEPAYWWRGG-UHFFFAOYSA-N

Cite this record

CBID:410282 http://www.chembase.cn/molecule-410282.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
IUPAC Traditional name
N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxamide
Synonyms
N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

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 11.363496  H Acceptors
H Donor LogD (pH = 5.5) 2.723498 
LogD (pH = 7.4) 2.7234538  Log P 2.7234988 
Molar Refractivity 100.3315 cm3 Polarizability 37.325546 Å3
Polar Surface Area 67.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.05  LOG S -4.39 
Polar Surface Area 67.87 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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