1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide

C30H32N2O — CID 3690557

IUPAC1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C30H32N2O/c1-3-4-7-16-27-29(26-19-17-25(18-20-26)24-14-10-6-11-15-24)28(30(31)33)22(2)32(27)21-23-12-8-5-9-13-23/h5-6,8-15,17-20H,3-4,7,16,21H2,1-2H3,(H2,31,33)
InChIKeyQANBITURLVKTEA-UHFFFAOYSA-N
MW436.60 g/mol
LogP7.01
Rot. Bonds9

About 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide

1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide (PubChem CID 3690557) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
PubChem CID3690557
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C30H32N2O/c1-3-4-7-16-27-29(26-19-17-25(18-20-26)24-14-10-6-11-15-24)28(30(31)33)22(2)32(27)21-23-12-8-5-9-13-23/h5-6,8-15,17-20H,3-4,7,16,21H2,1-2H3,(H2,31,33)
InChIKeyQANBITURLVKTEA-UHFFFAOYSA-N
XLogP7.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-2-methyl-5-pentyl-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

methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-benzyl-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3731786
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 4992439
4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
1-benzyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3699570
1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3481918

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide (CID 3690557) is 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide is CCCCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The InChIKey is QANBITURLVKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-3-4-7-16-27-29(26-19-17-25(18-20-26)24-14-10-6-11-15-24)28(30(31)33)22(2)32(27)21-23-12-8-5-9-13-23/h5-6,8-15,17-20H,3-4,7,16,21H2,1-2H3,(H2,31,33).
What are the key properties of 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3690557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).