N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

C16H22N2O — CID 80566002

IUPACN-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(18-10-12-6-2-1-3-7-12)14-11-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyLVSCPQHSDNYXLJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.89
Rot. Bonds3

About N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566002) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566002
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(18-10-12-6-2-1-3-7-12)14-11-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyLVSCPQHSDNYXLJ-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106135230
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565293
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(2,3-dihydro-1H-indol-3-yl)-3-oxopropanamide
CID 87874213
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80566002) is N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCC1CCCCC1)C1CNc2ccccc21.
What is the InChIKey of N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is LVSCPQHSDNYXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-10-12-6-2-1-3-7-12)14-11-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).