N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C24H32N2O — CID 20908802

IUPACN-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NC3CCCC(C)C3C)cc1)CCCC2
InChIInChI=1S/C24H32N2O/c1-16-7-6-9-22(18(16)3)25-24(27)19-11-13-21(14-12-19)26-17(2)15-20-8-4-5-10-23(20)26/h11-16,18,22H,4-10H2,1-3H3,(H,25,27)
InChIKeyWIUWKDAZEUIOSH-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.22
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 20908802) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID20908802
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NC3CCCC(C)C3C)cc1)CCCC2
InChIInChI=1S/C24H32N2O/c1-16-7-6-9-22(18(16)3)25-24(27)19-11-13-21(14-12-19)26-17(2)15-20-8-4-5-10-23(20)26/h11-16,18,22H,4-10H2,1-3H3,(H,25,27)
InChIKeyWIUWKDAZEUIOSH-UHFFFAOYSA-N
XLogP5.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-(4-ethylphenyl)-2-methylbenzimidazole-5-carboxamide
CID 129426869
N-[3-[cyclohexyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908824
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-(2,3-dimethylcyclohexyl)-4-hydrazinyl-3-methylbenzamide
CID 63211656
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 20908802) is N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(=O)NC3CCCC(C)C3C)cc1)CCCC2.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is WIUWKDAZEUIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-16-7-6-9-22(18(16)3)25-24(27)19-11-13-21(14-12-19)26-17(2)15-20-8-4-5-10-23(20)26/h11-16,18,22H,4-10H2,1-3H3,(H,25,27).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 364.53 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 20908802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).