(4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium

C16H15N2O2+ — CID 58861566

IUPAC(4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium
SMILESCNc1ccc([N+](=C=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H15N2O2/c1-12(20)13-3-7-15(8-4-13)18(11-19)16-9-5-14(17-2)6-10-16/h3-10,17H,1-2H3/q+1
InChIKeyQIOFXYOGJZAHNC-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.10
Rot. Bonds4

About (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium

(4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium (PubChem CID 58861566) has the molecular formula C16H15N2O2+ and a molecular weight of 267.31 g/mol. Its IUPAC name is (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium.

Molecular Properties

Compound Name(4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium
PubChem CID58861566
Molecular FormulaC16H15N2O2+
Molecular Weight267.31 g/mol
Exact Mass267.11
IUPAC Name(4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium
SMILESCNc1ccc([N+](=C=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H15N2O2/c1-12(20)13-3-7-15(8-4-13)18(11-19)16-9-5-14(17-2)6-10-16/h3-10,17H,1-2H3/q+1
InChIKeyQIOFXYOGJZAHNC-UHFFFAOYSA-N
XLogP3.10
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
3-[4-(methylamino)phenyl]-3-oxopropanenitrile
CID 156767557
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
[4-(methylamino)benzoyl]oxidanium
CID 20625574
1-(4-acetylphenyl)ethanone;methane
CID 159515104
N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
CID 21400968
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 142294720
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
(Z)-N-(4-acetylphenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108856416
4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide
CID 23531471

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium?
The IUPAC name of (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium (CID 58861566) is (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium.
What is the SMILES notation for (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium?
The canonical SMILES for (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium is CNc1ccc([N+](=C=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium?
The InChIKey is QIOFXYOGJZAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O2/c1-12(20)13-3-7-15(8-4-13)18(11-19)16-9-5-14(17-2)6-10-16/h3-10,17H,1-2H3/q+1.
What are the key properties of (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium?
(4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium has a molecular weight of 267.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl)-[4-(methylamino)phenyl]-(oxomethylidene)azanium is sourced from PubChem (CID 58861566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).