benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate

C17H15NO6 — CID 53244935

IUPACbenzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
SMILESCN(C)C(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1
InChIInChI=1S/C17H15NO6/c1-18(2)17(21)22-14-11-7-6-10-13(14)16(20)24-23-15(19)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyLPMJGRAKAUBNHY-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.68
Rot. Bonds3

About benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate

benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate (PubChem CID 53244935) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate.

Molecular Properties

Compound Namebenzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
PubChem CID53244935
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Namebenzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
SMILESCN(C)C(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1
InChIInChI=1S/C17H15NO6/c1-18(2)17(21)22-14-11-7-6-10-13(14)16(20)24-23-15(19)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyLPMJGRAKAUBNHY-UHFFFAOYSA-N
XLogP2.68
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
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-benzoylperoxycarbonylphenyl) heptanoate
CID 53245008
benzoyl 2-butoxycarbonyloxybenzenecarboperoxoate
CID 53244808
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
benzoyl 2-pentoxycarbonyloxybenzenecarboperoxoate
CID 53245067
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
CID 19766641
CID 19766641
argon;benzoyl benzenecarboperoxoate
CID 161437596
benzoyl benzenecarboperoxoate;hydron
CID 20524010
[2-[3-(4-chlorophenyl)-3-hydroxyprop-2-enoyl]phenyl] N,N-dimethylcarbamate
CID 7195614
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991

Frequently Asked Questions

What is the IUPAC name of benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate?
The IUPAC name of benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate (CID 53244935) is benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate.
What is the SMILES notation for benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate?
The canonical SMILES for benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate is CN(C)C(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1.
What is the InChIKey of benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate?
The InChIKey is LPMJGRAKAUBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c1-18(2)17(21)22-14-11-7-6-10-13(14)16(20)24-23-15(19)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate?
benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate has a molecular weight of 329.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate is sourced from PubChem (CID 53244935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).