ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate

C24H25NO4 — CID 70683211

IUPACethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H25NO4/c1-4-29-24(27)16-12-21-11-15-23(19-7-13-22(28-3)14-8-19)25(21)20-9-5-18(6-10-20)17(2)26/h5-11,13-15H,4,12,16H2,1-3H3
InChIKeyYVYVEXJFUOWVCK-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.85
Rot. Bonds8

About ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate

ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate (PubChem CID 70683211) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate
PubChem CID70683211
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H25NO4/c1-4-29-24(27)16-12-21-11-15-23(19-7-13-22(28-3)14-8-19)25(21)20-9-5-18(6-10-20)17(2)26/h5-11,13-15H,4,12,16H2,1-3H3
InChIKeyYVYVEXJFUOWVCK-UHFFFAOYSA-N
XLogP4.85
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate?
The IUPAC name of ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate (CID 70683211) is ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate is CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate?
The InChIKey is YVYVEXJFUOWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-29-24(27)16-12-21-11-15-23(19-7-13-22(28-3)14-8-19)25(21)20-9-5-18(6-10-20)17(2)26/h5-11,13-15H,4,12,16H2,1-3H3.
What are the key properties of ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate?
ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate has a molecular weight of 391.47 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate is sourced from PubChem (CID 70683211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).