[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate

C24H26N2O6 — CID 123994447

IUPAC[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate
SMILESCC(=O)OC(C)(N=NC(C)(OC(C)=O)c1ccc(C(C)=O)cc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H26N2O6/c1-15(27)19-7-11-21(12-8-19)23(5,31-17(3)29)25-26-24(6,32-18(4)30)22-13-9-20(10-14-22)16(2)28/h7-14H,1-6H3
InChIKeyMJGKTADVWUMEFO-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.72
Rot. Bonds8

About [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate

[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate (PubChem CID 123994447) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate
PubChem CID123994447
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate
SMILESCC(=O)OC(C)(N=NC(C)(OC(C)=O)c1ccc(C(C)=O)cc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H26N2O6/c1-15(27)19-7-11-21(12-8-19)23(5,31-17(3)29)25-26-24(6,32-18(4)30)22-13-9-20(10-14-22)16(2)28/h7-14H,1-6H3
InChIKeyMJGKTADVWUMEFO-UHFFFAOYSA-N
XLogP4.72
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(2-azidopropan-2-yl)phenyl]ethanone
CID 167275403
1-[4-[4-(2-sulfanylpropan-2-yl)phenoxy]phenyl]ethanone
CID 143560267
[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
CID 15577795
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]ethanone
CID 117336917
1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone
CID 154436310
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
4-(4-acetylphenoxy)benzoic acid
CID 60723234

Frequently Asked Questions

What is the IUPAC name of [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate?
The IUPAC name of [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate (CID 123994447) is [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate.
What is the SMILES notation for [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate?
The canonical SMILES for [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate is CC(=O)OC(C)(N=NC(C)(OC(C)=O)c1ccc(C(C)=O)cc1)c1ccc(C(C)=O)cc1.
What is the InChIKey of [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate?
The InChIKey is MJGKTADVWUMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-15(27)19-7-11-21(12-8-19)23(5,31-17(3)29)25-26-24(6,32-18(4)30)22-13-9-20(10-14-22)16(2)28/h7-14H,1-6H3.
What are the key properties of [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate?
[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate has a molecular weight of 438.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate is sourced from PubChem (CID 123994447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).