(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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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).