1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide

C24H30N2O — CID 110501283

IUPAC1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c2ccccc21
InChIInChI=1S/C24H30N2O/c1-6-7-16-26-21-11-9-8-10-20(21)17(2)22(26)23(27)25-19-14-12-18(13-15-19)24(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,25,27)
InChIKeyKRIXPURHFRJUEC-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.30
Rot. Bonds5

About 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide

1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide (PubChem CID 110501283) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
PubChem CID110501283
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c2ccccc21
InChIInChI=1S/C24H30N2O/c1-6-7-16-26-21-11-9-8-10-20(21)17(2)22(26)23(27)25-19-14-12-18(13-15-19)24(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,25,27)
InChIKeyKRIXPURHFRJUEC-UHFFFAOYSA-N
XLogP6.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
2-(diethylamino)ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501276
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
5-bromo-2-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501339
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide (CID 110501283) is 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide is CCCCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide?
The InChIKey is KRIXPURHFRJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-6-7-16-26-21-11-9-8-10-20(21)17(2)22(26)23(27)25-19-14-12-18(13-15-19)24(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,25,27).
What are the key properties of 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide?
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).