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

C17H24N2O — CID 61409406

IUPAC2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H24N2O/c1-6-10(2)12(4)19-17(20)14-7-8-16-15(9-14)11(3)13(5)18-16/h7-10,12,18H,6H2,1-5H3,(H,19,20)
InChIKeyXLNDJDXKXUAIOX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.95
Rot. Bonds4

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

2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide (PubChem CID 61409406) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
PubChem CID61409406
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H24N2O/c1-6-10(2)12(4)19-17(20)14-7-8-16-15(9-14)11(3)13(5)18-16/h7-10,12,18H,6H2,1-5H3,(H,19,20)
InChIKeyXLNDJDXKXUAIOX-UHFFFAOYSA-N
XLogP3.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.95
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-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
methyl 2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-4-methylpentanoate
CID 42910188
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43097887
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide;molecular hydrogen
CID 144948492
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide (CID 61409406) is 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide is CCC(C)C(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide?
The InChIKey is XLNDJDXKXUAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-10(2)12(4)19-17(20)14-7-8-16-15(9-14)11(3)13(5)18-16/h7-10,12,18H,6H2,1-5H3,(H,19,20).
What are the key properties of 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 61409406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).