3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid

C25H25NO4 — CID 174458853

IUPAC3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
SMILESCC(NC(=O)c1ccccc1OCc1ccc(CCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-18(21-7-3-2-4-8-21)26-25(29)22-9-5-6-10-23(22)30-17-20-13-11-19(12-14-20)15-16-24(27)28/h2-14,18H,15-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyYUPCREZSTXIPLO-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.77
Rot. Bonds9

About 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid

3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid (PubChem CID 174458853) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
PubChem CID174458853
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
SMILESCC(NC(=O)c1ccccc1OCc1ccc(CCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-18(21-7-3-2-4-8-21)26-25(29)22-9-5-6-10-23(22)30-17-20-13-11-19(12-14-20)15-16-24(27)28/h2-14,18H,15-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyYUPCREZSTXIPLO-UHFFFAOYSA-N
XLogP4.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]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

Related Compounds

3-[4-[[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenoxy]methyl]phenyl]propanoic acid
CID 174458870
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid (CID 174458853) is 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid is CC(NC(=O)c1ccccc1OCc1ccc(CCC(=O)O)cc1)c1ccccc1.
What is the InChIKey of 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid?
The InChIKey is YUPCREZSTXIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-18(21-7-3-2-4-8-21)26-25(29)22-9-5-6-10-23(22)30-17-20-13-11-19(12-14-20)15-16-24(27)28/h2-14,18H,15-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid?
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid has a molecular weight of 403.48 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid is sourced from PubChem (CID 174458853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).