5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide

C23H26N2O2 — CID 2742300

IUPAC5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N2O2/c1-16-20(22(26)24-17-11-13-19(27-5)14-12-17)15-21(23(2,3)4)25(16)18-9-7-6-8-10-18/h6-15H,1-5H3,(H,24,26)
InChIKeyBNQVVKLDIILJSM-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.34
Rot. Bonds4

About 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide

5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide (PubChem CID 2742300) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
PubChem CID2742300
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N2O2/c1-16-20(22(26)24-17-11-13-19(27-5)14-12-17)15-21(23(2,3)4)25(16)18-9-7-6-8-10-18/h6-15H,1-5H3,(H,24,26)
InChIKeyBNQVVKLDIILJSM-UHFFFAOYSA-N
XLogP5.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
1-(4-methoxyphenyl)-2,5-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 24560064
methyl 2-[[4-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]amino]acetate
CID 39678474
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60599272
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122287009
N-[4-(ethylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972355
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide (CID 2742300) is 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide is COc1ccc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)cc1.
What is the InChIKey of 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is BNQVVKLDIILJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-20(22(26)24-17-11-13-19(27-5)14-12-17)15-21(23(2,3)4)25(16)18-9-7-6-8-10-18/h6-15H,1-5H3,(H,24,26).
What are the key properties of 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).