N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide

C23H31N3O2 — CID 4992266

IUPACN-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H31N3O2/c1-26(21(27)15-17-16-24-20-12-6-5-11-19(17)20)23(13-7-2-8-14-23)22(28)25-18-9-3-4-10-18/h5-6,11-12,16,18,24H,2-4,7-10,13-15H2,1H3,(H,25,28)
InChIKeyURIKYUADQHPOAZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.93
Rot. Bonds5

About N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide

N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide (PubChem CID 4992266) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
PubChem CID4992266
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H31N3O2/c1-26(21(27)15-17-16-24-20-12-6-5-11-19(17)20)23(13-7-2-8-14-23)22(28)25-18-9-3-4-10-18/h5-6,11-12,16,18,24H,2-4,7-10,13-15H2,1H3,(H,25,28)
InChIKeyURIKYUADQHPOAZ-UHFFFAOYSA-N
XLogP3.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide
CID 41236345
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 3993913
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 4210660
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
CID 7012221
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide (CID 4992266) is N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide is CN(C(=O)Cc1c[nH]c2ccccc12)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide?
The InChIKey is URIKYUADQHPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-26(21(27)15-17-16-24-20-12-6-5-11-19(17)20)23(13-7-2-8-14-23)22(28)25-18-9-3-4-10-18/h5-6,11-12,16,18,24H,2-4,7-10,13-15H2,1H3,(H,25,28).
What are the key properties of N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 4992266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).