3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide

C26H26N2O — CID 59804519

IUPAC3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide
SMILESCc1ccc(NC(=O)n2cc(-c3ccccc3C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O/c1-18-13-15-19(16-14-18)27-25(29)28-17-22(21-10-6-8-12-24(21)28)20-9-5-7-11-23(20)26(2,3)4/h5-17H,1-4H3,(H,27,29)
InChIKeyUQWFKQPDLDVAGS-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.99
Rot. Bonds2

About 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide

3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide (PubChem CID 59804519) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide
PubChem CID59804519
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide
SMILESCc1ccc(NC(=O)n2cc(-c3ccccc3C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O/c1-18-13-15-19(16-14-18)27-25(29)28-17-22(21-10-6-8-12-24(21)28)20-9-5-7-11-23(20)26(2,3)4/h5-17H,1-4H3,(H,27,29)
InChIKeyUQWFKQPDLDVAGS-UHFFFAOYSA-N
XLogP6.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(4-tert-butylphenyl)ethyl]-N'-5-isoquinolinylurea
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N-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
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N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547
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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide?
The IUPAC name of 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide (CID 59804519) is 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide.
What is the SMILES notation for 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide?
The canonical SMILES for 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide is Cc1ccc(NC(=O)n2cc(-c3ccccc3C(C)(C)C)c3ccccc32)cc1.
What is the InChIKey of 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide?
The InChIKey is UQWFKQPDLDVAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-18-13-15-19(16-14-18)27-25(29)28-17-22(21-10-6-8-12-24(21)28)20-9-5-7-11-23(20)26(2,3)4/h5-17H,1-4H3,(H,27,29).
What are the key properties of 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide?
3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 6.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide is sourced from PubChem (CID 59804519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).