benzhydryl 2-(propanoylamino)benzoate

C23H21NO3 — CID 1309991

IUPACbenzhydryl 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-2-21(25)24-20-16-10-9-15-19(20)23(26)27-22(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,22H,2H2,1H3,(H,24,25)
InChIKeyAQXDXDYGRPRYCX-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.98
Rot. Bonds6

About benzhydryl 2-(propanoylamino)benzoate

benzhydryl 2-(propanoylamino)benzoate (PubChem CID 1309991) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is benzhydryl 2-(propanoylamino)benzoate.

Molecular Properties

Compound Namebenzhydryl 2-(propanoylamino)benzoate
PubChem CID1309991
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namebenzhydryl 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-2-21(25)24-20-16-10-9-15-19(20)23(26)27-22(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,22H,2H2,1H3,(H,24,25)
InChIKeyAQXDXDYGRPRYCX-UHFFFAOYSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzhydryl 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 benzhydryl 2-(propanoylamino)benzoate?
The IUPAC name of benzhydryl 2-(propanoylamino)benzoate (CID 1309991) is benzhydryl 2-(propanoylamino)benzoate.
What is the SMILES notation for benzhydryl 2-(propanoylamino)benzoate?
The canonical SMILES for benzhydryl 2-(propanoylamino)benzoate is CCC(=O)Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(propanoylamino)benzoate?
The InChIKey is AQXDXDYGRPRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-21(25)24-20-16-10-9-15-19(20)23(26)27-22(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,22H,2H2,1H3,(H,24,25).
What are the key properties of benzhydryl 2-(propanoylamino)benzoate?
benzhydryl 2-(propanoylamino)benzoate has a molecular weight of 359.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(propanoylamino)benzoate is sourced from PubChem (CID 1309991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).