[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate

C20H22N2O4 — CID 7214743

IUPAC[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
SMILESCN(C)C(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-22(2)18(23)14-26-19(24)13-17(15-9-5-3-6-10-15)21-20(25)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyLQWOESSGYBSGEO-QGZVFWFLSA-N
MW354.41 g/mol
LogP2.18
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate

[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate (PubChem CID 7214743) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
PubChem CID7214743
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
SMILESCN(C)C(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-22(2)18(23)14-26-19(24)13-17(15-9-5-3-6-10-15)21-20(25)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyLQWOESSGYBSGEO-QGZVFWFLSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214914
[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-benzamido-3-phenylpropanoate
CID 18226931
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 8809612
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132820
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate (CID 7214743) is [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate is CN(C)C(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate?
The InChIKey is LQWOESSGYBSGEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22(2)18(23)14-26-19(24)13-17(15-9-5-3-6-10-15)21-20(25)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate?
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate has a molecular weight of 354.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7214743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).