[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate

C18H16N2O8 — CID 53245201

IUPAC[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
SMILESCNC(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1OC(=O)NC
InChIInChI=1S/C18H16N2O8/c1-19-17(23)25-13-9-5-3-7-11(13)15(21)27-28-16(22)12-8-4-6-10-14(12)26-18(24)20-2/h3-10H,1-2H3,(H,19,23)(H,20,24)
InChIKeyPHEXEIYEZZECBO-UHFFFAOYSA-N
MW388.33 g/mol
LogP2.05
Rot. Bonds4

About [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate

[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate (PubChem CID 53245201) has the molecular formula C18H16N2O8 and a molecular weight of 388.33 g/mol. Its IUPAC name is [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate.

Molecular Properties

Compound Name[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
PubChem CID53245201
Molecular FormulaC18H16N2O8
Molecular Weight388.33 g/mol
Exact Mass388.09
IUPAC Name[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
SMILESCNC(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1OC(=O)NC
InChIInChI=1S/C18H16N2O8/c1-19-17(23)25-13-9-5-3-7-11(13)15(21)27-28-16(22)12-8-4-6-10-14(12)26-18(24)20-2/h3-10H,1-2H3,(H,19,23)(H,20,24)
InChIKeyPHEXEIYEZZECBO-UHFFFAOYSA-N
XLogP2.05
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-methylbutanoyloxy)benzoyl]peroxycarbonylphenyl] 3-methylbutanoate
CID 53245135
benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
CID 53244935
[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
CID 89287038
naphthalen-1-yl N-methylcarbamate
CID 23447097
(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
CID 23621979
(2-pentan-3-yloxycarbonyloxybenzoyl) 2-pentan-3-yloxycarbonyloxybenzenecarboperoxoate
CID 53244290
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
(2-prop-2-enoxyphenyl) N-methylcarbamate
CID 19983
[2-(methylcarbamoyloxy)phenyl]methyl benzoate
CID 54157847
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate?
The IUPAC name of [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate (CID 53245201) is [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate.
What is the SMILES notation for [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate?
The canonical SMILES for [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate is CNC(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1OC(=O)NC.
What is the InChIKey of [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate?
The InChIKey is PHEXEIYEZZECBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O8/c1-19-17(23)25-13-9-5-3-7-11(13)15(21)27-28-16(22)12-8-4-6-10-14(12)26-18(24)20-2/h3-10H,1-2H3,(H,19,23)(H,20,24).
What are the key properties of [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate?
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate has a molecular weight of 388.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate is sourced from PubChem (CID 53245201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).