1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide

C22H24N2O — CID 3797302

IUPAC1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C22H24N2O/c1-4-19-21(18-12-10-15(2)11-13-18)20(22(23)25)16(3)24(19)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H2,23,25)
InChIKeyPGLLHTQEAMEXSZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.48
Rot. Bonds5

About 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide

1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 3797302) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID3797302
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C22H24N2O/c1-4-19-21(18-12-10-15(2)11-13-18)20(22(23)25)16(3)24(19)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H2,23,25)
InChIKeyPGLLHTQEAMEXSZ-UHFFFAOYSA-N
XLogP4.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
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
1-benzyl-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3731786
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3732537
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4669918
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide (CID 3797302) is 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide is CCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is PGLLHTQEAMEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-19-21(18-12-10-15(2)11-13-18)20(22(23)25)16(3)24(19)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H2,23,25).
What are the key properties of 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3797302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).