N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide

C18H24N2O — CID 43002218

IUPACN-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCC3CCCCC3)cc2c1C
InChIInChI=1S/C18H24N2O/c1-12-13(2)20-17-9-8-15(10-16(12)17)18(21)19-11-14-6-4-3-5-7-14/h8-10,14,20H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyYROFGPBXHPRNAI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.09
Rot. Bonds3

About N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 43002218) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID43002218
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCC3CCCCC3)cc2c1C
InChIInChI=1S/C18H24N2O/c1-12-13(2)20-17-9-8-15(10-16(12)17)18(21)19-11-14-6-4-3-5-7-14/h8-10,14,20H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyYROFGPBXHPRNAI-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 138043232
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 95761685
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 43002218) is N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCC3CCCCC3)cc2c1C.
What is the InChIKey of N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is YROFGPBXHPRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-13(2)20-17-9-8-15(10-16(12)17)18(21)19-11-14-6-4-3-5-7-14/h8-10,14,20H,3-7,11H2,1-2H3,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 43002218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).