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

C18H24N2O — CID 60732092

IUPACN-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCC3CCCC3)cc2c1C
InChIInChI=1S/C18H24N2O/c1-12-13(2)20-17-8-7-15(11-16(12)17)18(21)19-10-9-14-5-3-4-6-14/h7-8,11,14,20H,3-6,9-10H2,1-2H3,(H,19,21)
InChIKeyIJMCZZNGGHCIET-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.09
Rot. Bonds4

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

N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 60732092) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID60732092
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCC3CCCC3)cc2c1C
InChIInChI=1S/C18H24N2O/c1-12-13(2)20-17-8-7-15(11-16(12)17)18(21)19-10-9-14-5-3-4-6-14/h7-8,11,14,20H,3-6,9-10H2,1-2H3,(H,19,21)
InChIKeyIJMCZZNGGHCIET-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 95761685
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 138043232
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 60732092) is N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCC3CCCC3)cc2c1C.
What is the InChIKey of N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is IJMCZZNGGHCIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-13(2)20-17-8-7-15(11-16(12)17)18(21)19-10-9-14-5-3-4-6-14/h7-8,11,14,20H,3-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 60732092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).