phenacyl 2-benzamido-3-phenylpropanoate

C24H21NO4 — CID 4307513

IUPACphenacyl 2-benzamido-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4/c26-22(19-12-6-2-7-13-19)17-29-24(28)21(16-18-10-4-1-5-11-18)25-23(27)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,27)
InChIKeyTZKDDKAEHJVGOG-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.45
Rot. Bonds8

About phenacyl 2-benzamido-3-phenylpropanoate

phenacyl 2-benzamido-3-phenylpropanoate (PubChem CID 4307513) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is phenacyl 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Namephenacyl 2-benzamido-3-phenylpropanoate
PubChem CID4307513
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namephenacyl 2-benzamido-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4/c26-22(19-12-6-2-7-13-19)17-29-24(28)21(16-18-10-4-1-5-11-18)25-23(27)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,27)
InChIKeyTZKDDKAEHJVGOG-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Npc171139
CID 9832120
Asperphenamate
CID 173952
Aurantiamide Acetate
CID 10026486
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
2-Oxo-1,2-diphenylethyl (cyclohexanecarbonyl)glycinate
CID 44143092
Cyclohexyl (benzoylamino)acetate
CID 672410
N-benzoyl-phenylalanine methyl ester
CID 569674
N-Benzoyl-3-phenylisoserine, (2R,3S)-
CID 2762289
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
2-(4-Fluorophenyl)-2-oxoethyl [(phenylacetyl)amino]acetate
CID 1615713
[2-(Cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417977

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-benzamido-3-phenylpropanoate?
The IUPAC name of phenacyl 2-benzamido-3-phenylpropanoate (CID 4307513) is phenacyl 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for phenacyl 2-benzamido-3-phenylpropanoate?
The canonical SMILES for phenacyl 2-benzamido-3-phenylpropanoate is O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of phenacyl 2-benzamido-3-phenylpropanoate?
The InChIKey is TZKDDKAEHJVGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-22(19-12-6-2-7-13-19)17-29-24(28)21(16-18-10-4-1-5-11-18)25-23(27)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,27).
What are the key properties of phenacyl 2-benzamido-3-phenylpropanoate?
phenacyl 2-benzamido-3-phenylpropanoate has a molecular weight of 387.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 4307513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).