3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid

C20H23NO4 — CID 119218911

IUPAC3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
SMILESCOc1ccc(CCC(=O)NC(c2ccccc2)C(C)C(=O)O)cc1
InChIInChI=1S/C20H23NO4/c1-14(20(23)24)19(16-6-4-3-5-7-16)21-18(22)13-10-15-8-11-17(25-2)12-9-15/h3-9,11-12,14,19H,10,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLCAGSXOVLHELCR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.21
Rot. Bonds8

About 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid

3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119218911) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
PubChem CID119218911
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
SMILESCOc1ccc(CCC(=O)NC(c2ccccc2)C(C)C(=O)O)cc1
InChIInChI=1S/C20H23NO4/c1-14(20(23)24)19(16-6-4-3-5-7-16)21-18(22)13-10-15-8-11-17(25-2)12-9-15/h3-9,11-12,14,19H,10,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLCAGSXOVLHELCR-UHFFFAOYSA-N
XLogP3.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
3-[3-(4-chlorophenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218761
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218767
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-methyl-3-[4-(4-methylphenyl)butanoylamino]-3-phenylpropanoic acid
CID 119218621
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid (CID 119218911) is 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid is COc1ccc(CCC(=O)NC(c2ccccc2)C(C)C(=O)O)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is LCAGSXOVLHELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(20(23)24)19(16-6-4-3-5-7-16)21-18(22)13-10-15-8-11-17(25-2)12-9-15/h3-9,11-12,14,19H,10,13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid?
3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119218911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).