5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide

C25H30N2O — CID 3747323

IUPAC5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1C(C)C(C)C
InChIInChI=1S/C25H30N2O/c1-6-22-24(23(25(26)28)18(5)27(22)17(4)16(2)3)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-17H,6H2,1-5H3,(H2,26,28)
InChIKeyGXTKKWDLQSLKOY-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.01
Rot. Bonds6

About 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide

5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide (PubChem CID 3747323) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide
PubChem CID3747323
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1C(C)C(C)C
InChIInChI=1S/C25H30N2O/c1-6-22-24(23(25(26)28)18(5)27(22)17(4)16(2)3)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-17H,6H2,1-5H3,(H2,26,28)
InChIKeyGXTKKWDLQSLKOY-UHFFFAOYSA-N
XLogP6.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3481691
5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3747326
2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 4992439
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
CID 3832600
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
methyl 3-[4-carbamoyl-5-methyl-3-(4-phenylphenyl)-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3853015

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide (CID 3747323) is 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide is CCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1C(C)C(C)C.
What is the InChIKey of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The InChIKey is GXTKKWDLQSLKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-6-22-24(23(25(26)28)18(5)27(22)17(4)16(2)3)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-17H,6H2,1-5H3,(H2,26,28).
What are the key properties of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide?
5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3747323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).