[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate

C20H22N2O4 — CID 7783257

IUPAC[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESCCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-22(17-12-8-5-9-13-17)20(25)15(2)26-18(23)14-21-19(24)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyACUKOFXLXTZJHH-OAHLLOKOSA-N
MW354.41 g/mol
LogP2.40
Rot. Bonds7

About [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate

[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate (PubChem CID 7783257) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
PubChem CID7783257
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESCCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-22(17-12-8-5-9-13-17)20(25)15(2)26-18(23)14-21-19(24)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyACUKOFXLXTZJHH-OAHLLOKOSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269603
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880467
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885174
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide
CID 158116212
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275983
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The IUPAC name of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate (CID 7783257) is [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate is CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The InChIKey is ACUKOFXLXTZJHH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-22(17-12-8-5-9-13-17)20(25)15(2)26-18(23)14-21-19(24)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate has a molecular weight of 354.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 7783257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).