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N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

ChemBase ID: 450215
Molecular Formular: C18H23N3O3
Molecular Mass: 329.39352
Monoisotopic Mass: 329.17394161
SMILES and InChIs

SMILES:
c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCN1C(=O)OCC1
Canonical SMILES:
Cc1c(CC(=O)NCCN2CCOC2=O)c2c([nH]1)c(C)ccc2C
InChI:
InChI=1S/C18H23N3O3/c1-11-4-5-12(2)17-16(11)14(13(3)20-17)10-15(22)19-6-7-21-8-9-24-18(21)23/h4-5,20H,6-10H2,1-3H3,(H,19,22)
InChIKey:
BDWDVWLCXWLZOL-UHFFFAOYSA-N

Cite this record

CBID:450215 http://www.chembase.cn/molecule-450215.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
IUPAC Traditional name
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
Synonyms
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

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 供应商提供(Chembridge)
Acid pKa 15.782994  H Acceptors
H Donor LogD (pH = 5.5) 2.0461986 
LogD (pH = 7.4) 2.0461986  Log P 2.0461986 
Molar Refractivity 92.348 cm3 Polarizability 36.08615 Å3
Polar Surface Area 74.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.55  LOG S -2.93 
Polar Surface Area 74.43 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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