2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide

C22H22N2O3 — CID 20969537

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C22H22N2O3/c1-15-20(16(2)25)13-21(17-7-5-4-6-8-17)24(15)14-22(26)23-18-9-11-19(27-3)12-10-18/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyZSFXPWNPKPTCCS-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.31
Rot. Bonds6

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 20969537) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID20969537
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C22H22N2O3/c1-15-20(16(2)25)13-21(17-7-5-4-6-8-17)24(15)14-22(26)23-18-9-11-19(27-3)12-10-18/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyZSFXPWNPKPTCCS-UHFFFAOYSA-N
XLogP4.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide 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

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
CID 3321229
ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620061
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 3672749
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
CID 3665068
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3397645
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20885261
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
N-(4-methoxyphenyl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755549
3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 46374782
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 20969537) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZSFXPWNPKPTCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-20(16(2)25)13-21(17-7-5-4-6-8-17)24(15)14-22(26)23-18-9-11-19(27-3)12-10-18/h4-13H,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 20969537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).