3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid

C24H23NO4 — CID 23016939

IUPAC3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(27)14-13-20-12-11-19(17-29-21-9-5-2-6-10-21)15-22(20)24(28)25-16-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17H2,(H,25,28)(H,26,27)
InChIKeyLCYAQTLRAKBEIB-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.21
Rot. Bonds9

About 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid

3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid (PubChem CID 23016939) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid
PubChem CID23016939
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(27)14-13-20-12-11-19(17-29-21-9-5-2-6-10-21)15-22(20)24(28)25-16-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17H2,(H,25,28)(H,26,27)
InChIKeyLCYAQTLRAKBEIB-UHFFFAOYSA-N
XLogP4.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid 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 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid (CID 23016939) is 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid is O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1ccccc1.
What is the InChIKey of 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid?
The InChIKey is LCYAQTLRAKBEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(27)14-13-20-12-11-19(17-29-21-9-5-2-6-10-21)15-22(20)24(28)25-16-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17H2,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid?
3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid has a molecular weight of 389.45 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 23016939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).