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

C36H32N2O10 — CID 89287038

IUPAC[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
SMILESCCCNC(=O)Oc1ccccc1C(=O)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)c1ccccc1OC(=O)NCCC
InChIInChI=1S/C36H32N2O10/c1-3-21-37-35(43)45-29-19-11-9-17-27(29)31(39)23-13-5-7-15-25(23)33(41)47-48-34(42)26-16-8-6-14-24(26)32(40)28-18-10-12-20-30(28)46-36(44)38-22-4-2/h5-20H,3-4,21-22H2,1-2H3,(H,37,43)(H,38,44)
InChIKeyQUTKYBFVESCEDI-UHFFFAOYSA-N
MW652.66 g/mol
LogP6.07
Rot. Bonds12

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

[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate (PubChem CID 89287038) has the molecular formula C36H32N2O10 and a molecular weight of 652.66 g/mol. Its IUPAC name is [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate.

Molecular Properties

Compound Name[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
PubChem CID89287038
Molecular FormulaC36H32N2O10
Molecular Weight652.66 g/mol
Exact Mass652.21
IUPAC Name[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
SMILESCCCNC(=O)Oc1ccccc1C(=O)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)c1ccccc1OC(=O)NCCC
InChIInChI=1S/C36H32N2O10/c1-3-21-37-35(43)45-29-19-11-9-17-27(29)31(39)23-13-5-7-15-25(23)33(41)47-48-34(42)26-16-8-6-14-24(26)32(40)28-18-10-12-20-30(28)46-36(44)38-22-4-2/h5-20H,3-4,21-22H2,1-2H3,(H,37,43)(H,38,44)
InChIKeyQUTKYBFVESCEDI-UHFFFAOYSA-N
XLogP6.07
TPSA163.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.66
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-formylbenzoyl)phenyl] N-propylcarbamate
CID 123406138
(2-ethylphenyl) N-propylcarbamate
CID 127559161
[2-[2-[2-(2-nonanoyloxybenzoyl)benzoyl]peroxycarbonylbenzoyl]phenyl] nonanoate
CID 87310604
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
(3-acetyl-2-bromophenyl) N-propylcarbamate
CID 175190417
2-[(2-ethoxycarbonylphenoxy)carbonylamino]ethanesulfonic acid
CID 59487849
[2-(2-butanoyloxybenzoyl)phenyl] butanoate
CID 139701045
[2-[2-(3-methylbutanoyloxy)benzoyl]peroxycarbonylphenyl] 3-methylbutanoate
CID 53245135
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
2-propoxy-N-propylbenzamide
CID 58831728
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979

Frequently Asked Questions

What is the IUPAC name of [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate?
The IUPAC name of [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate (CID 89287038) is [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate.
What is the SMILES notation for [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate?
The canonical SMILES for [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate is CCCNC(=O)Oc1ccccc1C(=O)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)c1ccccc1OC(=O)NCCC.
What is the InChIKey of [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate?
The InChIKey is QUTKYBFVESCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O10/c1-3-21-37-35(43)45-29-19-11-9-17-27(29)31(39)23-13-5-7-15-25(23)33(41)47-48-34(42)26-16-8-6-14-24(26)32(40)28-18-10-12-20-30(28)46-36(44)38-22-4-2/h5-20H,3-4,21-22H2,1-2H3,(H,37,43)(H,38,44).
What are the key properties of [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate?
[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate has a molecular weight of 652.66 g/mol, XLogP of 6.07, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate is sourced from PubChem (CID 89287038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).