(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate

C17H15NO6 — CID 141198806

IUPAC(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate
SMILESO=C(CNC(=O)c1ccccc1)OOC(=O)C(O)c1ccccc1
InChIInChI=1S/C17H15NO6/c19-14(11-18-16(21)13-9-5-2-6-10-13)23-24-17(22)15(20)12-7-3-1-4-8-12/h1-10,15,20H,11H2,(H,18,21)
InChIKeyYHMGIDBPPDAHTJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.15
Rot. Bonds5

About (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate

(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate (PubChem CID 141198806) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate.

Molecular Properties

Compound Name(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate
PubChem CID141198806
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate
SMILESO=C(CNC(=O)c1ccccc1)OOC(=O)C(O)c1ccccc1
InChIInChI=1S/C17H15NO6/c19-14(11-18-16(21)13-9-5-2-6-10-13)23-24-17(22)15(20)12-7-3-1-4-8-12/h1-10,15,20H,11H2,(H,18,21)
InChIKeyYHMGIDBPPDAHTJ-UHFFFAOYSA-N
XLogP1.15
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
sodium;amino 2-benzamidoacetate;hydride
CID 175503094
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
(carbamothioylamino) 2-benzamidoacetate
CID 174948338
4-(2-benzamidoacetyl)oxy-3-(4-hydroxyphenyl)-4-oxo-2-phenylbutanoic acid
CID 57178092
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264

Frequently Asked Questions

What is the IUPAC name of (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate?
The IUPAC name of (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate (CID 141198806) is (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate.
What is the SMILES notation for (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate?
The canonical SMILES for (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate is O=C(CNC(=O)c1ccccc1)OOC(=O)C(O)c1ccccc1.
What is the InChIKey of (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate?
The InChIKey is YHMGIDBPPDAHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c19-14(11-18-16(21)13-9-5-2-6-10-13)23-24-17(22)15(20)12-7-3-1-4-8-12/h1-10,15,20H,11H2,(H,18,21).
What are the key properties of (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate?
(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate has a molecular weight of 329.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate is sourced from PubChem (CID 141198806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).