(2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate

C19H17NO5 — CID 3885827

IUPAC(2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OC1CCOC1=O
InChIInChI=1S/C19H17NO5/c21-17(25-16-10-11-24-19(16)23)12-20-18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,20,22)
InChIKeyLPIMOYAYTHOZTM-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.94
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate

(2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 3885827) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID3885827
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OC1CCOC1=O
InChIInChI=1S/C19H17NO5/c21-17(25-16-10-11-24-19(16)23)12-20-18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,20,22)
InChIKeyLPIMOYAYTHOZTM-UHFFFAOYSA-N
XLogP1.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl (benzoylamino)acetate
CID 672410
(2-Oxocyclohexyl) 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 3315955
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368
(2-Oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate
CID 24981310
2-(4-methylphenyl)-2-oxoethyl N-(4-methylbenzoyl)glycylglycinate
CID 1613147
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide
CID 10000717
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 16533034
[1-Oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate
CID 18266985
[2-Oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 24979552
[1-Oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
CID 25163490
4-octyl-N-[(3S)-2-oxooxolan-3-yl]benzamide
CID 44449541
2-(4-ethylphenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 2065705

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate (CID 3885827) is (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is LPIMOYAYTHOZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-17(25-16-10-11-24-19(16)23)12-20-18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,20,22).
What are the key properties of (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate?
(2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 339.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 3885827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).