[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate

C24H30N2O4 — CID 15577795

IUPAC[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(/N=N/C(C)(OC(=O)C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-17(2)21(27)29-23(5,19-13-9-7-10-14-19)25-26-24(6,30-22(28)18(3)4)20-15-11-8-12-16-20/h7-18H,1-6H3/b26-25+
InChIKeyXQUREKPTWLQNDX-OCEACIFDSA-N
MW410.51 g/mol
LogP5.58
Rot. Bonds8

About [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate

[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate (PubChem CID 15577795) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
PubChem CID15577795
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(/N=N/C(C)(OC(=O)C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-17(2)21(27)29-23(5,19-13-9-7-10-14-19)25-26-24(6,30-22(28)18(3)4)20-15-11-8-12-16-20/h7-18H,1-6H3/b26-25+
InChIKeyXQUREKPTWLQNDX-OCEACIFDSA-N
XLogP5.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1,1-diphenylethyl carbamate
CID 20976713
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
CID 89217434
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634
[1-[[1-acetyloxy-1-(4-acetylphenyl)ethyl]diazenyl]-1-(4-acetylphenyl)ethyl] acetate
CID 123994447
[4-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-phenylethyl]phenyl] 2-methylpropanoate
CID 122522972
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate?
The IUPAC name of [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate (CID 15577795) is [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate.
What is the SMILES notation for [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate?
The canonical SMILES for [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate is CC(C)C(=O)OC(C)(/N=N/C(C)(OC(=O)C(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate?
The InChIKey is XQUREKPTWLQNDX-OCEACIFDSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17(2)21(27)29-23(5,19-13-9-7-10-14-19)25-26-24(6,30-22(28)18(3)4)20-15-11-8-12-16-20/h7-18H,1-6H3/b26-25+.
What are the key properties of [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate?
[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate has a molecular weight of 410.51 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate is sourced from PubChem (CID 15577795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).