4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid

C19H21NO5 — CID 20991677

IUPAC4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
SMILESCOc1ccc(Oc2ccc(CCNC(=O)CCC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-24-15-6-8-17(9-7-15)25-16-4-2-14(3-5-16)12-13-20-18(21)10-11-19(22)23/h2-9H,10-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZKSOVCOFDCECFB-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.01
Rot. Bonds9

About 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid

4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid (PubChem CID 20991677) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
PubChem CID20991677
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
SMILESCOc1ccc(Oc2ccc(CCNC(=O)CCC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-24-15-6-8-17(9-7-15)25-16-4-2-14(3-5-16)12-13-20-18(21)10-11-19(22)23/h2-9H,10-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZKSOVCOFDCECFB-UHFFFAOYSA-N
XLogP3.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
CID 22684691
4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
CID 115163721
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid (CID 20991677) is 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid is COc1ccc(Oc2ccc(CCNC(=O)CCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid?
The InChIKey is ZKSOVCOFDCECFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-15-6-8-17(9-7-15)25-16-4-2-14(3-5-16)12-13-20-18(21)10-11-19(22)23/h2-9H,10-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid?
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 20991677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).