2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid

C20H23NO5 — CID 23132719

IUPAC2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid
SMILESCOC(Cc1ccc(OCC(=O)NC(C)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H23NO5/c1-14(16-6-4-3-5-7-16)21-19(22)13-26-17-10-8-15(9-11-17)12-18(25-2)20(23)24/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPCOOKOXRAOGYDJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.58
Rot. Bonds9

About 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid

2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid (PubChem CID 23132719) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid
PubChem CID23132719
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid
SMILESCOC(Cc1ccc(OCC(=O)NC(C)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H23NO5/c1-14(16-6-4-3-5-7-16)21-19(22)13-26-17-10-8-15(9-11-17)12-18(25-2)20(23)24/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPCOOKOXRAOGYDJ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid
CID 23132768
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)acetyl]phenyl]propanoic acid
CID 58822877
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid (CID 23132719) is 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid is COC(Cc1ccc(OCC(=O)NC(C)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid?
The InChIKey is PCOOKOXRAOGYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(16-6-4-3-5-7-16)21-19(22)13-26-17-10-8-15(9-11-17)12-18(25-2)20(23)24/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid?
2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 23132719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).