2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid

C19H21NO4 — CID 119231910

IUPAC2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-2-24-17-10-8-14(9-11-17)12-16(19(22)23)13-20-18(21)15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyUIEHDJGJKXSXEO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds8

About 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid

2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid (PubChem CID 119231910) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
PubChem CID119231910
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-2-24-17-10-8-14(9-11-17)12-16(19(22)23)13-20-18(21)15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyUIEHDJGJKXSXEO-UHFFFAOYSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
2-[(4-ethoxyphenyl)methyl]-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232040
2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120524941
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
2-[(4-ethoxyphenyl)methyl]-3-(2-methylbutanoylamino)propanoic acid
CID 119231907
2-[(4-ethoxyphenyl)methyl]-3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]propanoic acid
CID 166224815
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164
2-[(4-ethoxyphenyl)methyl]-3-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119232157
2-[(4-ethoxyphenyl)methyl]-3-[(3-methylthiophene-2-carbonyl)amino]propanoic acid
CID 119232009
2-[[[2-(2,6-difluorophenyl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 120524919

Frequently Asked Questions

What is the IUPAC name of 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid (CID 119231910) is 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(CC(CNC(=O)c2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid?
The InChIKey is UIEHDJGJKXSXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-17-10-8-14(9-11-17)12-16(19(22)23)13-20-18(21)15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid?
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 119231910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).