[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C19H20N2O4 — CID 8834418

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCN(C)C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-21(2)17(22)13-25-18(23)12-20-19(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyZAONWVFOHLONGA-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.71
Rot. Bonds6

About [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 8834418) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID8834418
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCN(C)C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-21(2)17(22)13-25-18(23)12-20-19(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyZAONWVFOHLONGA-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854604
ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
CID 143394399
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 8834418) is [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is CN(C)C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is ZAONWVFOHLONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(2)17(22)13-25-18(23)12-20-19(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 340.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 8834418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).