N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide

C17H22N2O2 — CID 64911107

IUPACN-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCCC2O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-11-14(13-7-3-4-8-15(13)19)17(21)18-10-12-6-2-5-9-16(12)20/h3-4,7-8,11-12,16,20H,2,5-6,9-10H2,1H3,(H,18,21)
InChIKeyNKDUWKVLXNYGSD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide (PubChem CID 64911107) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
PubChem CID64911107
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCCC2O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-11-14(13-7-3-4-8-15(13)19)17(21)18-10-12-6-2-5-9-16(12)20/h3-4,7-8,11-12,16,20H,2,5-6,9-10H2,1H3,(H,18,21)
InChIKeyNKDUWKVLXNYGSD-UHFFFAOYSA-N
XLogP2.46
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
CID 136520105
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide (CID 64911107) is N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC2CCCCC2O)c2ccccc21.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
The InChIKey is NKDUWKVLXNYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-11-14(13-7-3-4-8-15(13)19)17(21)18-10-12-6-2-5-9-16(12)20/h3-4,7-8,11-12,16,20H,2,5-6,9-10H2,1H3,(H,18,21).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 64911107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).