N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C17H30N2O — CID 102557118

IUPACN-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCC3CCCCC32)C(C)C1
InChIInChI=1S/C17H30N2O/c1-12-7-8-15(13(2)11-12)18-17(20)19-10-9-14-5-3-4-6-16(14)19/h12-16H,3-11H2,1-2H3,(H,18,20)
InChIKeyJNVMOAKWMPCOKZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds1

About N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 102557118) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID102557118
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCC3CCCCC32)C(C)C1
InChIInChI=1S/C17H30N2O/c1-12-7-8-15(13(2)11-12)18-17(20)19-10-9-14-5-3-4-6-16(14)19/h12-16H,3-11H2,1-2H3,(H,18,20)
InChIKeyJNVMOAKWMPCOKZ-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide with MolForge

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Related Compounds

1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63998601
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391262
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764549
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
CID 114424404
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292
2-[[1-[(2,4-dimethylcyclohexyl)carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122002019
1-[(2-methylcyclopropyl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 62410736
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)butanoic acid
CID 82750338

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 102557118) is N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is CC1CCC(NC(=O)N2CCC3CCCCC32)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is JNVMOAKWMPCOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-7-8-15(13(2)11-12)18-17(20)19-10-9-14-5-3-4-6-16(14)19/h12-16H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 102557118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).