[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate

C19H20N2O4 — CID 46824068

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
SMILESCN(C)C(=O)C(OC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-21(2)19(24)17(14-9-5-3-6-10-14)25-16(22)13-20-18(23)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3,(H,20,23)
InChIKeyYWXAKSZUQIRZGQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.79
Rot. Bonds6

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate (PubChem CID 46824068) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
PubChem CID46824068
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
SMILESCN(C)C(=O)C(OC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-21(2)19(24)17(14-9-5-3-6-10-14)25-16(22)13-20-18(23)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3,(H,20,23)
InChIKeyYWXAKSZUQIRZGQ-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 55390247
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703284
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7715777
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
CID 7701818
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 27736093

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate (CID 46824068) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate is CN(C)C(=O)C(OC(=O)CNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
The InChIKey is YWXAKSZUQIRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(2)19(24)17(14-9-5-3-6-10-14)25-16(22)13-20-18(23)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3,(H,20,23).
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate has a molecular weight of 340.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate is sourced from PubChem (CID 46824068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).