3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid

C18H19NO3 — CID 82348090

IUPAC3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
SMILESCCNC(CC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-2-19-16(12-17(20)21)18(22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeySUAWLENPVJPCLY-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.99
Rot. Bonds7

About 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid

3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid (PubChem CID 82348090) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
PubChem CID82348090
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
SMILESCCNC(CC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-2-19-16(12-17(20)21)18(22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeySUAWLENPVJPCLY-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(dimethylamino)phenyl]-3-(ethylamino)-4-oxobutanoic acid
CID 82322773
4-(4-butan-2-ylphenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322816
4-(3,4-dichlorophenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322800
3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
dimethyl 2-(4-phenylbenzoyl)propanedioate
CID 10852564
4-(4-methylphenyl)-4-oxo-3-(pyridin-2-ylmethylamino)butanoic acid
CID 82322309
4-oxo-4-phenyl-3-(3-propan-2-yloxypropylamino)butanoic acid
CID 82322275
4-oxo-4-(4-propan-2-ylphenyl)-3-(propylamino)butanoic acid
CID 82322366
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
2-(ethylamino)-4-oxo-4-phenylbutanoic acid
CID 23008759
methyl 3-(methylamino)-4-oxo-4-(4-phenylphenyl)butanoate
CID 82348093

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid?
The IUPAC name of 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid (CID 82348090) is 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid is CCNC(CC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid?
The InChIKey is SUAWLENPVJPCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-19-16(12-17(20)21)18(22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid?
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 82348090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).