N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide

C16H22N2O — CID 67190094

IUPACN-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCC1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(17-12-13-6-2-1-3-7-13)18-11-10-14-8-4-5-9-15(14)18/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,17,19)
InChIKeyZJFQRWUWRIJTKA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.34
Rot. Bonds2

About N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide

N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 67190094) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID67190094
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCC1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(17-12-13-6-2-1-3-7-13)18-11-10-14-8-4-5-9-15(14)18/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,17,19)
InChIKeyZJFQRWUWRIJTKA-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 49110751
3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
CID 166748735
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 60591263
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-(cyclobutylmethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61199124
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide (CID 67190094) is N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide is O=C(NCC1CCCCC1)N1CCc2ccccc21.
What is the InChIKey of N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ZJFQRWUWRIJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-12-13-6-2-1-3-7-13)18-11-10-14-8-4-5-9-15(14)18/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,17,19).
What are the key properties of N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide?
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 67190094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).