(4-benzoylphenyl)methyl 2-(propanoylamino)benzoate

C24H21NO4 — CID 2302025

IUPAC(4-benzoylphenyl)methyl 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-2-22(26)25-21-11-7-6-10-20(21)24(28)29-16-17-12-14-19(15-13-17)23(27)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,26)
InChIKeyMMJZMJYHLOUXFC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.62
Rot. Bonds7

About (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate

(4-benzoylphenyl)methyl 2-(propanoylamino)benzoate (PubChem CID 2302025) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl 2-(propanoylamino)benzoate
PubChem CID2302025
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(4-benzoylphenyl)methyl 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-2-22(26)25-21-11-7-6-10-20(21)24(28)29-16-17-12-14-19(15-13-17)23(27)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,26)
InChIKeyMMJZMJYHLOUXFC-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate?
The IUPAC name of (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate (CID 2302025) is (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate.
What is the SMILES notation for (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate?
The canonical SMILES for (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate is CCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate?
The InChIKey is MMJZMJYHLOUXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-2-22(26)25-21-11-7-6-10-20(21)24(28)29-16-17-12-14-19(15-13-17)23(27)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,26).
What are the key properties of (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate?
(4-benzoylphenyl)methyl 2-(propanoylamino)benzoate has a molecular weight of 387.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl 2-(propanoylamino)benzoate is sourced from PubChem (CID 2302025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).