4-(dimethylamino)-1,3-diphenylazet-2-one

C17H16N2O — CID 134873630

IUPAC4-(dimethylamino)-1,3-diphenylazet-2-one
SMILESCN(C)C1=C(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-18(2)16-15(13-9-5-3-6-10-13)17(20)19(16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyPBSLEQRJAZXQQQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.96
Rot. Bonds3

About 4-(dimethylamino)-1,3-diphenylazet-2-one

4-(dimethylamino)-1,3-diphenylazet-2-one (PubChem CID 134873630) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(dimethylamino)-1,3-diphenylazet-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1,3-diphenylazet-2-one
PubChem CID134873630
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(dimethylamino)-1,3-diphenylazet-2-one
SMILESCN(C)C1=C(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-18(2)16-15(13-9-5-3-6-10-13)17(20)19(16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyPBSLEQRJAZXQQQ-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
CID 10552238
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
1-[4-(dimethylamino)phenyl]-3-ethylsulfanyl-4-phenylpyrrole-2,5-dione
CID 110558740
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-[4-(dimethylamino)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110558728
3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595070
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
3-benzylsulfanyl-1-[3-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110562010
1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581172
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110558734
methane;1-phenylpyrrole-2,5-dione
CID 174935875

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,3-diphenylazet-2-one?
The IUPAC name of 4-(dimethylamino)-1,3-diphenylazet-2-one (CID 134873630) is 4-(dimethylamino)-1,3-diphenylazet-2-one.
What is the SMILES notation for 4-(dimethylamino)-1,3-diphenylazet-2-one?
The canonical SMILES for 4-(dimethylamino)-1,3-diphenylazet-2-one is CN(C)C1=C(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-1,3-diphenylazet-2-one?
The InChIKey is PBSLEQRJAZXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18(2)16-15(13-9-5-3-6-10-13)17(20)19(16)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 4-(dimethylamino)-1,3-diphenylazet-2-one?
4-(dimethylamino)-1,3-diphenylazet-2-one has a molecular weight of 264.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,3-diphenylazet-2-one is sourced from PubChem (CID 134873630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).