[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate

C25H22N2O5 — CID 55927240

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c1-17(26-23(29)19-8-4-2-5-9-19)25(31)32-16-22(28)18-12-14-21(15-13-18)27-24(30)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,26,29)(H,27,30)/t17-/m0/s1
InChIKeyZURJONDEWOSKNV-KRWDZBQOSA-N
MW430.46 g/mol
LogP3.48
Rot. Bonds8

About [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 55927240) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID55927240
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c1-17(26-23(29)19-8-4-2-5-9-19)25(31)32-16-22(28)18-12-14-21(15-13-18)27-24(30)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,26,29)(H,27,30)/t17-/m0/s1
InChIKeyZURJONDEWOSKNV-KRWDZBQOSA-N
XLogP3.48
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571920
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927206
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885301
[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861
phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884992
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2R)-2-benzamidopropanoate
CID 2593672
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
prop-2-enyl 2-benzamidopropanoate
CID 2910482
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 16564557

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 55927240) is [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is ZURJONDEWOSKNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-17(26-23(29)19-8-4-2-5-9-19)25(31)32-16-22(28)18-12-14-21(15-13-18)27-24(30)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,26,29)(H,27,30)/t17-/m0/s1.
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 430.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 55927240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).