4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid

C23H24N2O4 — CID 46179377

IUPAC4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid
SMILESCOc1ccc(-c2ccn(CCCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1
InChIInChI=1S/C23H24N2O4/c1-15-14-17(23(24)28)7-10-19(15)22-20(16-5-8-18(29-2)9-6-16)11-13-25(22)12-3-4-21(26)27/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,28)(H,26,27)
InChIKeyZLUDDWSKSXSRQK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.10
Rot. Bonds8

About 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid

4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid (PubChem CID 46179377) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid
PubChem CID46179377
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid
SMILESCOc1ccc(-c2ccn(CCCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1
InChIInChI=1S/C23H24N2O4/c1-15-14-17(23(24)28)7-10-19(15)22-20(16-5-8-18(29-2)9-6-16)11-13-25(22)12-3-4-21(26)27/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,28)(H,26,27)
InChIKeyZLUDDWSKSXSRQK-UHFFFAOYSA-N
XLogP4.10
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid 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

4-[1-(2-aminoethyl)-3-(4-methoxyphenyl)pyrrol-2-yl]-3-methylbenzonitrile
CID 58297373
3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 46174362
3-[4-(4-bromophenyl)-3-(4-carbamoyl-2-methylphenyl)thiophen-2-yl]propanoic acid
CID 53250242
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
3-[2-(4-cyano-2-methylphenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propanoic acid
CID 67175664
3-[1-(4-carbamoylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 2235471
bis(decanedioic acid);tetrakis(4-methylbenzamide)
CID 139195155
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
CID 170941551
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
1-(2-carboxyethyl)-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82209012

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid?
The IUPAC name of 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid (CID 46179377) is 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid is COc1ccc(-c2ccn(CCCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1.
What is the InChIKey of 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid?
The InChIKey is ZLUDDWSKSXSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-14-17(23(24)28)7-10-19(15)22-20(16-5-8-18(29-2)9-6-16)11-13-25(22)12-3-4-21(26)27/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,28)(H,26,27).
What are the key properties of 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid?
4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid has a molecular weight of 392.46 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]butanoic acid is sourced from PubChem (CID 46179377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).