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

C17H22N2O2 — CID 103690934

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C17H22N2O2/c1-11-16(14-7-2-3-8-15(14)19-11)17(21)18-10-12-5-4-6-13(20)9-12/h2-3,7-8,12-13,19-20H,4-6,9-10H2,1H3,(H,18,21)
InChIKeyHBONVQRVGDMKKM-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.76
Rot. Bonds3

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

N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 103690934) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID103690934
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C17H22N2O2/c1-11-16(14-7-2-3-8-15(14)19-11)17(21)18-10-12-5-4-6-13(20)9-12/h2-3,7-8,12-13,19-20H,4-6,9-10H2,1H3,(H,18,21)
InChIKeyHBONVQRVGDMKKM-UHFFFAOYSA-N
XLogP2.76
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825443
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460381
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide (CID 103690934) is N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is HBONVQRVGDMKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-16(14-7-2-3-8-15(14)19-11)17(21)18-10-12-5-4-6-13(20)9-12/h2-3,7-8,12-13,19-20H,4-6,9-10H2,1H3,(H,18,21).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 103690934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).