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1-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetamido]cyclopentane-1-carboxamide

ChemBase ID: 322963
Molecular Formular: C19H25N3O2
Molecular Mass: 327.4207
Monoisotopic Mass: 327.19467706
SMILES and InChIs

SMILES:
c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NC1(C(=O)N)CCCC1
Canonical SMILES:
O=C(NC1(CCCC1)C(=O)N)Cc1c(C)[nH]c2c1cc(C)cc2C
InChI:
InChI=1S/C19H25N3O2/c1-11-8-12(2)17-15(9-11)14(13(3)21-17)10-16(23)22-19(18(20)24)6-4-5-7-19/h8-9,21H,4-7,10H2,1-3H3,(H2,20,24)(H,22,23)
InChIKey:
OXQYXPLUCHMMMS-UHFFFAOYSA-N

Cite this record

CBID:322963 http://www.chembase.cn/molecule-322963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetamido]cyclopentane-1-carboxamide
IUPAC Traditional name
1-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetamido]cyclopentane-1-carboxamide
Synonyms
1-{[(2,5,7-trimethyl-1H-indol-3-yl)acetyl]amino}cyclopentanecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11365915 external link Add to cart
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 12.853018  H Acceptors
H Donor LogD (pH = 5.5) 2.6067834 
LogD (pH = 7.4) 2.606782  Log P 2.6067834 
Molar Refractivity 94.7629 cm3 Polarizability 37.23965 Å3
Polar Surface Area 87.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.56  LOG S -2.92 
Polar Surface Area 87.98 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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