2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid

C26H27NO5 — CID 142868325

IUPAC2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid
SMILESCC(Oc1ccc(C(C)C(=O)O)cc1)C(=O)NCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27NO5/c1-18(26(29)30)21-10-14-23(15-11-21)31-19(2)25(28)27-17-16-20-8-12-24(13-9-20)32-22-6-4-3-5-7-22/h3-15,18-19H,16-17H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyJUEIPVXCPYTOER-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.79
Rot. Bonds10

About 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid

2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid (PubChem CID 142868325) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid
PubChem CID142868325
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid
SMILESCC(Oc1ccc(C(C)C(=O)O)cc1)C(=O)NCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27NO5/c1-18(26(29)30)21-10-14-23(15-11-21)31-19(2)25(28)27-17-16-20-8-12-24(13-9-20)32-22-6-4-3-5-7-22/h3-15,18-19H,16-17H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyJUEIPVXCPYTOER-UHFFFAOYSA-N
XLogP4.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-iodo-3-[4-[(2R)-1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoyl iodide
CID 142845108
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
2-(4-phenoxyphenyl)propanoic acid
CID 527817
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid?
The IUPAC name of 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid (CID 142868325) is 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid.
What is the SMILES notation for 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid?
The canonical SMILES for 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid is CC(Oc1ccc(C(C)C(=O)O)cc1)C(=O)NCCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid?
The InChIKey is JUEIPVXCPYTOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-18(26(29)30)21-10-14-23(15-11-21)31-19(2)25(28)27-17-16-20-8-12-24(13-9-20)32-22-6-4-3-5-7-22/h3-15,18-19H,16-17H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid?
2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid has a molecular weight of 433.50 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid is sourced from PubChem (CID 142868325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).