N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide

C16H20N2O2 — CID 62520393

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c19-11-16(8-4-1-5-9-16)18-15(20)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,17,19H,1,4-5,8-9,11H2,(H,18,20)
InChIKeyCTVVCMFKVSYNRX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide (PubChem CID 62520393) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
PubChem CID62520393
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c19-11-16(8-4-1-5-9-16)18-15(20)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,17,19H,1,4-5,8-9,11H2,(H,18,20)
InChIKeyCTVVCMFKVSYNRX-UHFFFAOYSA-N
XLogP2.59
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494
[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate
CID 67668507
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
CID 62517076
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide (CID 62520393) is N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide is O=C(NC1(CO)CCCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide?
The InChIKey is CTVVCMFKVSYNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-16(8-4-1-5-9-16)18-15(20)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,17,19H,1,4-5,8-9,11H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 62520393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).