5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide

C23H34N2O2 — CID 3608133

IUPAC5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(OC)c(C)c2)c(C(N)=O)c(C)n1CCC(C)C
InChIInChI=1S/C23H34N2O2/c1-7-8-9-19-22(18-10-11-20(27-6)16(4)14-18)21(23(24)26)17(5)25(19)13-12-15(2)3/h10-11,14-15H,7-9,12-13H2,1-6H3,(H2,24,26)
InChIKeyGIFSQJLQVHLIAJ-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.27
Rot. Bonds9

About 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide

5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide (PubChem CID 3608133) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
PubChem CID3608133
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(OC)c(C)c2)c(C(N)=O)c(C)n1CCC(C)C
InChIInChI=1S/C23H34N2O2/c1-7-8-9-19-22(18-10-11-20(27-6)16(4)14-18)21(23(24)26)17(5)25(19)13-12-15(2)3/h10-11,14-15H,7-9,12-13H2,1-6H3,(H2,24,26)
InChIKeyGIFSQJLQVHLIAJ-UHFFFAOYSA-N
XLogP5.27
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
5-butyl-2-methyl-1-(3-methylbutyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 3817588
methyl 3-[1-benzyl-4-carbamoyl-3-(4-methoxy-3-methylphenyl)-5-methylpyrrol-2-yl]propanoate
CID 3448433
1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3766380
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1,5-dibutyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3748147
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
methyl 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(4-methoxy-3-methylphenyl)-5-methylpyrrol-2-yl]propanoate
CID 3591611
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3769669

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide?
The IUPAC name of 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide (CID 3608133) is 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide is CCCCc1c(-c2ccc(OC)c(C)c2)c(C(N)=O)c(C)n1CCC(C)C.
What is the InChIKey of 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide?
The InChIKey is GIFSQJLQVHLIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-7-8-9-19-22(18-10-11-20(27-6)16(4)14-18)21(23(24)26)17(5)25(19)13-12-15(2)3/h10-11,14-15H,7-9,12-13H2,1-6H3,(H2,24,26).
What are the key properties of 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide?
5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3608133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).