4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid

C20H23NO5 — CID 119201282

IUPAC4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
SMILESCOc1ccc(OC(C)C(=O)NC(CCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-14(26-17-10-8-16(25-2)9-11-17)20(24)21-18(12-13-19(22)23)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBVYGJDSVGBYIIX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.18
Rot. Bonds9

About 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid

4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid (PubChem CID 119201282) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
PubChem CID119201282
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
SMILESCOc1ccc(OC(C)C(=O)NC(CCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-14(26-17-10-8-16(25-2)9-11-17)20(24)21-18(12-13-19(22)23)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBVYGJDSVGBYIIX-UHFFFAOYSA-N
XLogP3.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
(2S)-2-(2-phenoxypropanoylamino)pentanedioic acid
CID 61152729
2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide
CID 51184920
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid?
The IUPAC name of 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid (CID 119201282) is 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid is COc1ccc(OC(C)C(=O)NC(CCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid?
The InChIKey is BVYGJDSVGBYIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(26-17-10-8-16(25-2)9-11-17)20(24)21-18(12-13-19(22)23)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid?
4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).