4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid

C20H23NO4 — CID 20991274

IUPAC4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c22-19(9-10-20(23)24)21-13-11-17-7-4-8-18(15-17)25-14-12-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,21,22)(H,23,24)
InChIKeyOTWRECJJHBGXQD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.83
Rot. Bonds10

About 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid

4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid (PubChem CID 20991274) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
PubChem CID20991274
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c22-19(9-10-20(23)24)21-13-11-17-7-4-8-18(15-17)25-14-12-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,21,22)(H,23,24)
InChIKeyOTWRECJJHBGXQD-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22683551
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
4-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20986012
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
4-[2-[3-[(4-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22680888
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121301
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid (CID 20991274) is 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid is O=C(O)CCC(=O)NCCc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid?
The InChIKey is OTWRECJJHBGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(9-10-20(23)24)21-13-11-17-7-4-8-18(15-17)25-14-12-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,21,22)(H,23,24).
What are the key properties of 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid?
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid is sourced from PubChem (CID 20991274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).