2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one

C20H22N2O2 — CID 12576841

IUPAC2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
SMILESCC(C)(/N=N/C(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-19(2,17(23)15-11-7-5-8-12-15)21-22-20(3,4)18(24)16-13-9-6-10-14-16/h5-14H,1-4H3/b22-21+
InChIKeyCRJQQBJNSOSPGQ-QURGRASLSA-N
MW322.41 g/mol
LogP4.76
Rot. Bonds6

About 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one

2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one (PubChem CID 12576841) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
PubChem CID12576841
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
SMILESCC(C)(/N=N/C(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-19(2,17(23)15-11-7-5-8-12-15)21-22-20(3,4)18(24)16-13-9-6-10-14-16/h5-14H,1-4H3/b22-21+
InChIKeyCRJQQBJNSOSPGQ-QURGRASLSA-N
XLogP4.76
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
CID 19001344
2,2-dimethylpropane;diphenylmethanone
CID 159191976
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
2-benzoyl-3,3-dimethylbutanoic acid
CID 19596612
(2S)-2-benzoyl-2,3,3-trimethylbutanedioic acid
CID 175533382
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
benzoic acid;methanol
CID 67901482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one (CID 12576841) is 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one is CC(C)(/N=N/C(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one?
The InChIKey is CRJQQBJNSOSPGQ-QURGRASLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-19(2,17(23)15-11-7-5-8-12-15)21-22-20(3,4)18(24)16-13-9-6-10-14-16/h5-14H,1-4H3/b22-21+.
What are the key properties of 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one?
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one has a molecular weight of 322.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one is sourced from PubChem (CID 12576841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).