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

C16H22N2O2 — CID 106135230

IUPACN-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O2/c19-12-5-3-4-11(8-12)9-18-16(20)14-10-17-15-7-2-1-6-13(14)15/h1-2,6-7,11-12,14,17,19H,3-5,8-10H2,(H,18,20)
InChIKeyCHYZUBBSDAOJPT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds3

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

N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 106135230) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID106135230
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O2/c19-12-5-3-4-11(8-12)9-18-16(20)14-10-17-15-7-2-1-6-13(14)15/h1-2,6-7,11-12,14,17,19H,3-5,8-10H2,(H,18,20)
InChIKeyCHYZUBBSDAOJPT-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
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-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567154
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-[(3-hydroxycyclohexyl)methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111470364
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567177
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 106135230) is N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCC1CCCC(O)C1)C1CNc2ccccc21.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is CHYZUBBSDAOJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-12-5-3-4-11(8-12)9-18-16(20)14-10-17-15-7-2-1-6-13(14)15/h1-2,6-7,11-12,14,17,19H,3-5,8-10H2,(H,18,20).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 106135230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).