1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide

C30H32N2O3 — CID 3849207

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C30H32N2O3/c1-5-25-29(24-14-12-23(13-15-24)22-9-7-6-8-10-22)28(30(31)33)20(2)32(25)18-17-21-11-16-26(34-3)27(19-21)35-4/h6-16,19H,5,17-18H2,1-4H3,(H2,31,33)
InChIKeyTTZIZORFLFVQIB-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.05
Rot. Bonds9

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide (PubChem CID 3849207) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
PubChem CID3849207
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C30H32N2O3/c1-5-25-29(24-14-12-23(13-15-24)22-9-7-6-8-10-22)28(30(31)33)20(2)32(25)18-17-21-11-16-26(34-3)27(19-21)35-4/h6-16,19H,5,17-18H2,1-4H3,(H2,31,33)
InChIKeyTTZIZORFLFVQIB-UHFFFAOYSA-N
XLogP6.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-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 3-[4-carbamoyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-(4-methylphenyl)pyrrol-2-yl]propanoate
CID 5003330
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide (CID 3849207) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide is CCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
The InChIKey is TTZIZORFLFVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-5-25-29(24-14-12-23(13-15-24)22-9-7-6-8-10-22)28(30(31)33)20(2)32(25)18-17-21-11-16-26(34-3)27(19-21)35-4/h6-16,19H,5,17-18H2,1-4H3,(H2,31,33).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3849207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).