[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate

C20H21NO4 — CID 7783196

IUPAC[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-3-15-9-11-16(12-10-15)19(23)14(2)25-18(22)13-21-20(24)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyAWEWEQIBMRIGGQ-CQSZACIVSA-N
MW339.39 g/mol
LogP2.79
Rot. Bonds7

About [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate (PubChem CID 7783196) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
PubChem CID7783196
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-3-15-9-11-16(12-10-15)19(23)14(2)25-18(22)13-21-20(24)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyAWEWEQIBMRIGGQ-CQSZACIVSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 42969065
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662888
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate (CID 7783196) is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate is CCc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The InChIKey is AWEWEQIBMRIGGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-15-9-11-16(12-10-15)19(23)14(2)25-18(22)13-21-20(24)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate has a molecular weight of 339.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 7783196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).