3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide

C25H28N2O5 — CID 46374782

IUPAC3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C25H28N2O5/c1-16-21(17(2)28)15-23(18-6-8-19(30-3)9-7-18)27(16)13-12-25(29)26-22-11-10-20(31-4)14-24(22)32-5/h6-11,14-15H,12-13H2,1-5H3,(H,26,29)
InChIKeyBARZZIWHYCHRME-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.72
Rot. Bonds9

About 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide

3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 46374782) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID46374782
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C25H28N2O5/c1-16-21(17(2)28)15-23(18-6-8-19(30-3)9-7-18)27(16)13-12-25(29)26-22-11-10-20(31-4)14-24(22)32-5/h6-11,14-15H,12-13H2,1-5H3,(H,26,29)
InChIKeyBARZZIWHYCHRME-UHFFFAOYSA-N
XLogP4.72
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide 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-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
ethyl 1-(3-hydrazinyl-3-oxopropyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 11559267
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620061
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91839507
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
CID 5062404

Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide (CID 46374782) is 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is BARZZIWHYCHRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-16-21(17(2)28)15-23(18-6-8-19(30-3)9-7-18)27(16)13-12-25(29)26-22-11-10-20(31-4)14-24(22)32-5/h6-11,14-15H,12-13H2,1-5H3,(H,26,29).
What are the key properties of 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide?
3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 436.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 46374782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).