N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide

C17H22N2O2 — CID 106122361

IUPACN-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-11-15(14-4-2-3-5-16(14)19)17(21)18-10-12-6-8-13(20)9-7-12/h2-5,11-13,20H,6-10H2,1H3,(H,18,21)
InChIKeyCOKDBDDFKOCCEV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide (PubChem CID 106122361) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
PubChem CID106122361
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-11-15(14-4-2-3-5-16(14)19)17(21)18-10-12-6-8-13(20)9-7-12/h2-5,11-13,20H,6-10H2,1H3,(H,18,21)
InChIKeyCOKDBDDFKOCCEV-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

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
(4-hydroxycyclohexyl)methyl 1-methylindole-3-carboxylate
CID 140552406
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
CID 136520105
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
CID 58011401
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide (CID 106122361) is N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC2CCC(O)CC2)c2ccccc21.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
The InChIKey is COKDBDDFKOCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-11-15(14-4-2-3-5-16(14)19)17(21)18-10-12-6-8-13(20)9-7-12/h2-5,11-13,20H,6-10H2,1H3,(H,18,21).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide?
N-[(4-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-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 106122361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).