(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide

C21H22N2O2 — CID 92710176

IUPAC(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1
InChIInChI=1S/C21H22N2O2/c1-2-25-19-12-10-18(11-13-19)22-21(24)16-20(23-14-6-7-15-23)17-8-4-3-5-9-17/h3-15,20H,2,16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyQPYQKSVOLLCGKE-FQEVSTJZSA-N
MW334.42 g/mol
LogP4.51
Rot. Bonds7

About (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide

(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide (PubChem CID 92710176) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
PubChem CID92710176
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1
InChIInChI=1S/C21H22N2O2/c1-2-25-19-12-10-18(11-13-19)22-21(24)16-20(23-14-6-7-15-23)17-8-4-3-5-9-17/h3-15,20H,2,16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyQPYQKSVOLLCGKE-FQEVSTJZSA-N
XLogP4.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide 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

(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342927
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709083
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide (CID 92710176) is (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide is CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1.
What is the InChIKey of (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide?
The InChIKey is QPYQKSVOLLCGKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-25-19-12-10-18(11-13-19)22-21(24)16-20(23-14-6-7-15-23)17-8-4-3-5-9-17/h3-15,20H,2,16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide?
(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92710176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).