1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide

C25H30N2O — CID 3744481

IUPAC1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
SMILESCCCCn1c(C)c(C(N)=O)c(-c2ccc(-c3ccccc3)cc2)c1CCC
InChIInChI=1S/C25H30N2O/c1-4-6-17-27-18(3)23(25(26)28)24(22(27)10-5-2)21-15-13-20(14-16-21)19-11-8-7-9-12-19/h7-9,11-16H,4-6,10,17H2,1-3H3,(H2,26,28)
InChIKeyUTMJHPHGFVZFIL-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.98
Rot. Bonds8

About 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide

1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide (PubChem CID 3744481) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
PubChem CID3744481
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
SMILESCCCCn1c(C)c(C(N)=O)c(-c2ccc(-c3ccccc3)cc2)c1CCC
InChIInChI=1S/C25H30N2O/c1-4-6-17-27-18(3)23(25(26)28)24(22(27)10-5-2)21-15-13-20(14-16-21)19-11-8-7-9-12-19/h7-9,11-16H,4-6,10,17H2,1-3H3,(H2,26,28)
InChIKeyUTMJHPHGFVZFIL-UHFFFAOYSA-N
XLogP5.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3830805
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
CID 59526415
1,5-dibutyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3748147
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide?
The IUPAC name of 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide (CID 3744481) is 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide is CCCCn1c(C)c(C(N)=O)c(-c2ccc(-c3ccccc3)cc2)c1CCC.
What is the InChIKey of 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide?
The InChIKey is UTMJHPHGFVZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-6-17-27-18(3)23(25(26)28)24(22(27)10-5-2)21-15-13-20(14-16-21)19-11-8-7-9-12-19/h7-9,11-16H,4-6,10,17H2,1-3H3,(H2,26,28).
What are the key properties of 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide?
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3744481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).