N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide

C18H24N2O — CID 11897305

IUPACN-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)cc2c1
InChIInChI=1S/C18H24N2O/c1-11-7-8-16-14(9-11)10-17(19-16)18(21)20-15-6-4-5-12(2)13(15)3/h7-10,12-13,15,19H,4-6H2,1-3H3,(H,20,21)/t12-,13-,15-/m0/s1
InChIKeyBIUHSRCIPGVAMP-YDHLFZDLSA-N
MW284.40 g/mol
LogP4.03
Rot. Bonds2

About N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide

N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 11897305) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID11897305
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)cc2c1
InChIInChI=1S/C18H24N2O/c1-11-7-8-16-14(9-11)10-17(19-16)18(21)20-15-6-4-5-12(2)13(15)3/h7-10,12-13,15,19H,4-6H2,1-3H3,(H,20,21)/t12-,13-,15-/m0/s1
InChIKeyBIUHSRCIPGVAMP-YDHLFZDLSA-N
XLogP4.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63117889
4,5-dimethyl-N-(2-methylcyclopentyl)-1H-indole-2-carboxamide
CID 86963857
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 11906029
tert-butyl N-[(6S,7R)-2-hydroxy-6-[(5-methyl-1H-indole-2-carbonyl)amino]spiro[2.5]octan-7-yl]carbamate
CID 163728867
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide
CID 92678873
4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 72713741
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide (CID 11897305) is N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)cc2c1.
What is the InChIKey of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is BIUHSRCIPGVAMP-YDHLFZDLSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11-7-8-16-14(9-11)10-17(19-16)18(21)20-15-6-4-5-12(2)13(15)3/h7-10,12-13,15,19H,4-6H2,1-3H3,(H,20,21)/t12-,13-,15-/m0/s1.
What are the key properties of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide?
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 11897305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).