[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate

C24H21NO4 — CID 7229145

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-2-23(27)25-19-14-12-18(13-15-19)22(26)16-29-24(28)21-11-7-6-10-20(21)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27)
InChIKeyOFYOIWGHNQYQIZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.74
Rot. Bonds7

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate (PubChem CID 7229145) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
PubChem CID7229145
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-2-23(27)25-19-14-12-18(13-15-19)22(26)16-29-24(28)21-11-7-6-10-20(21)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27)
InChIKeyOFYOIWGHNQYQIZ-UHFFFAOYSA-N
XLogP4.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate
CID 46827542
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate (CID 7229145) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate?
The InChIKey is OFYOIWGHNQYQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-2-23(27)25-19-14-12-18(13-15-19)22(26)16-29-24(28)21-11-7-6-10-20(21)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate has a molecular weight of 387.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).