2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone

C16H17N3O — CID 170896073

IUPAC2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
SMILESCN(C)CC(=O)c1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C16H17N3O/c1-19(2)12-16(20)13-7-6-10-15(11-13)18-17-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3/b18-17+
InChIKeyTYSGSDYTANXKCW-ISLYRVAYSA-N
MW267.33 g/mol
LogP3.85
Rot. Bonds5

About 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone

2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone (PubChem CID 170896073) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
PubChem CID170896073
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
SMILESCN(C)CC(=O)c1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C16H17N3O/c1-19(2)12-16(20)13-7-6-10-15(11-13)18-17-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3/b18-17+
InChIKeyTYSGSDYTANXKCW-ISLYRVAYSA-N
XLogP3.85
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone (CID 170896073) is 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone is CN(C)CC(=O)c1cccc(/N=N/c2ccccc2)c1.
What is the InChIKey of 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone?
The InChIKey is TYSGSDYTANXKCW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(2)12-16(20)13-7-6-10-15(11-13)18-17-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3/b18-17+.
What are the key properties of 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone?
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone is sourced from PubChem (CID 170896073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).