4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid

C20H23NO4 — CID 119201187

IUPAC4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
SMILESCOc1ccc(CCC(=O)NC(CCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-25-17-10-7-15(8-11-17)9-13-19(22)21-18(12-14-20(23)24)16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyMQSQTYWBIAYCKT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.35
Rot. Bonds9

About 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid

4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid (PubChem CID 119201187) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
PubChem CID119201187
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
SMILESCOc1ccc(CCC(=O)NC(CCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-25-17-10-7-15(8-11-17)9-13-19(22)21-18(12-14-20(23)24)16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyMQSQTYWBIAYCKT-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
4-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-4-phenylbutanoic acid
CID 119201407
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
CID 119201282
3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218911
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
CID 112814215
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
3-[3-(4-methoxyphenyl)propanoylamino]-3-(4-nitrophenyl)propanoic acid
CID 67673795
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid (CID 119201187) is 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid is COc1ccc(CCC(=O)NC(CCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid?
The InChIKey is MQSQTYWBIAYCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-25-17-10-7-15(8-11-17)9-13-19(22)21-18(12-14-20(23)24)16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid?
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).