N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide

C17H22N2O — CID 61381158

IUPACN-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
SMILESCC1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-12-6-8-13(9-7-12)10-19-17(20)15-11-18-16-5-3-2-4-14(15)16/h2-5,11-13,18H,6-10H2,1H3,(H,19,20)
InChIKeyJEVISOGZFTUPFK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds3

About N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide

N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide (PubChem CID 61381158) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
PubChem CID61381158
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
SMILESCC1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-12-6-8-13(9-7-12)10-19-17(20)15-11-18-16-5-3-2-4-14(15)16/h2-5,11-13,18H,6-10H2,1H3,(H,19,20)
InChIKeyJEVISOGZFTUPFK-UHFFFAOYSA-N
XLogP3.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide
CID 130191199
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide
CID 16735447
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 155954366
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide (CID 61381158) is N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide is CC1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is JEVISOGZFTUPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-6-8-13(9-7-12)10-19-17(20)15-11-18-16-5-3-2-4-14(15)16/h2-5,11-13,18H,6-10H2,1H3,(H,19,20).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide?
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 61381158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).