[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate

C21H23NO4 — CID 7783025

IUPAC[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
SMILESCC[C@H](C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-3-15(2)16-9-11-17(12-10-16)19(23)14-26-20(24)13-22-21(25)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyMLOJYWABBANCQI-HNNXBMFYSA-N
MW353.42 g/mol
LogP3.36
Rot. Bonds8

About [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate

[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 7783025) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
PubChem CID7783025
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
SMILESCC[C@H](C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-3-15(2)16-9-11-17(12-10-16)19(23)14-26-20(24)13-22-21(25)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyMLOJYWABBANCQI-HNNXBMFYSA-N
XLogP3.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate 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-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022
[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
CID 2067592
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7516811
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-benzamidoacetate
CID 7889644
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3499042

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate (CID 7783025) is [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate is CC[C@H](C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is MLOJYWABBANCQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-15(2)16-9-11-17(12-10-16)19(23)14-26-20(24)13-22-21(25)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate?
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 353.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 7783025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).