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2-[cyclopropyl(1H-indol-5-ylmethyl)amino]-N-(2-acetamidophenyl)acetamide

ChemBase ID: 340648
Molecular Formular: C22H24N4O2
Molecular Mass: 376.45156
Monoisotopic Mass: 376.18992603
SMILES and InChIs

SMILES:
N(C1CC1)(CC(=O)Nc1c(NC(=O)C)cccc1)Cc1cc2c([nH]cc2)cc1
Canonical SMILES:
O=C(Nc1ccccc1NC(=O)C)CN(C1CC1)Cc1ccc2c(c1)cc[nH]2
InChI:
InChI=1S/C22H24N4O2/c1-15(27)24-20-4-2-3-5-21(20)25-22(28)14-26(18-7-8-18)13-16-6-9-19-17(12-16)10-11-23-19/h2-6,9-12,18,23H,7-8,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKey:
NUQSDAGGXHKYEH-UHFFFAOYSA-N

Cite this record

CBID:340648 http://www.chembase.cn/molecule-340648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[cyclopropyl(1H-indol-5-ylmethyl)amino]-N-(2-acetamidophenyl)acetamide
IUPAC Traditional name
2-[cyclopropyl(1H-indol-5-ylmethyl)amino]-N-(2-acetamidophenyl)acetamide
Synonyms
N-[2-(acetylamino)phenyl]-2-[cyclopropyl(1H-indol-5-ylmethyl)amino]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.321701  H Acceptors
H Donor LogD (pH = 5.5) 0.89106494 
LogD (pH = 7.4) 2.4017153  Log P 2.6289647 
Molar Refractivity 112.1233 cm3 Polarizability 43.059162 Å3
Polar Surface Area 77.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.18  LOG S -3.81 
Polar Surface Area 77.23 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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