N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide

C17H22N2O — CID 64742784

IUPACN-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1C
InChIInChI=1S/C17H22N2O/c1-11-7-8-14(9-12(11)2)18-17(20)16-10-13-5-3-4-6-15(13)19-16/h3-6,10-12,14,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyJVWIOMUOBKPBME-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide

N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 64742784) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID64742784
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1C
InChIInChI=1S/C17H22N2O/c1-11-7-8-14(9-12(11)2)18-17(20)16-10-13-5-3-4-6-15(13)19-16/h3-6,10-12,14,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyJVWIOMUOBKPBME-UHFFFAOYSA-N
XLogP3.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403
N-(3-ethoxycyclobutyl)-1H-indole-2-carboxamide
CID 102612122
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 159732987
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
methyl (3R)-3-(1H-indole-2-carbonylamino)azepane-1-carboxylate
CID 96580468

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide (CID 64742784) is N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide is CC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is JVWIOMUOBKPBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-7-8-14(9-12(11)2)18-17(20)16-10-13-5-3-4-6-15(13)19-16/h3-6,10-12,14,19H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 64742784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).