N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide

C25H30N2O4 — CID 42810317

IUPACN-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
SMILESCCc1c(C)c(C(=O)Nc2ccc(OC)c(OC)c2)n(Cc2cccc(OC)c2)c1C
InChIInChI=1S/C25H30N2O4/c1-7-21-16(2)24(25(28)26-19-11-12-22(30-5)23(14-19)31-6)27(17(21)3)15-18-9-8-10-20(13-18)29-4/h8-14H,7,15H2,1-6H3,(H,26,28)
InChIKeyZPPQYGKJAQTPDS-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.99
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide

N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide (PubChem CID 42810317) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
PubChem CID42810317
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
SMILESCCc1c(C)c(C(=O)Nc2ccc(OC)c(OC)c2)n(Cc2cccc(OC)c2)c1C
InChIInChI=1S/C25H30N2O4/c1-7-21-16(2)24(25(28)26-19-11-12-22(30-5)23(14-19)31-6)27(17(21)3)15-18-9-8-10-20(13-18)29-4/h8-14H,7,15H2,1-6H3,(H,26,28)
InChIKeyZPPQYGKJAQTPDS-UHFFFAOYSA-N
XLogP4.99
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-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

N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
3-[5-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]-2,4-dimethylpyrrol-3-yl]propanoic acid
CID 53213796
N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide
CID 46947974
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
CID 42810289
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810341
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide (CID 42810317) is N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide is CCc1c(C)c(C(=O)Nc2ccc(OC)c(OC)c2)n(Cc2cccc(OC)c2)c1C.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide?
The InChIKey is ZPPQYGKJAQTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-7-21-16(2)24(25(28)26-19-11-12-22(30-5)23(14-19)31-6)27(17(21)3)15-18-9-8-10-20(13-18)29-4/h8-14H,7,15H2,1-6H3,(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide?
N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 42810317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).