(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate

C24H21NO4 — CID 8971115

IUPAC(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C24H21NO4/c26-22(20-13-11-19(12-14-20)18-7-3-1-4-8-18)15-16-24(28)29-17-23(27)25-21-9-5-2-6-10-21/h1-14H,15-17H2,(H,25,27)
InChIKeyJCUMFTGFVBBJNT-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.50
Rot. Bonds8

About (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate

(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate (PubChem CID 8971115) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
PubChem CID8971115
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C24H21NO4/c26-22(20-13-11-19(12-14-20)18-7-3-1-4-8-18)15-16-24(28)29-17-23(27)25-21-9-5-2-6-10-21/h1-14H,15-17H2,(H,25,27)
InChIKeyJCUMFTGFVBBJNT-UHFFFAOYSA-N
XLogP4.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558
[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
CID 2628922
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971401
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 55404534
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 18285817

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate (CID 8971115) is (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate is O=C(COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate?
The InChIKey is JCUMFTGFVBBJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-22(20-13-11-19(12-14-20)18-7-3-1-4-8-18)15-16-24(28)29-17-23(27)25-21-9-5-2-6-10-21/h1-14H,15-17H2,(H,25,27).
What are the key properties of (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate?
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate has a molecular weight of 387.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 8971115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).