[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium

C16H18N3O2+ — CID 146938303

IUPAC[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium
SMILESC[NH+](C)c1ccc(C(=O)NN=Cc2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)14-9-7-12(8-10-14)16(21)18-17-11-13-5-3-4-6-15(13)20/h3-11,20H,1-2H3,(H,18,21)/p+1
InChIKeyAGIZWGHZSYMWEP-UHFFFAOYSA-O
MW284.34 g/mol
LogP0.93
Rot. Bonds4

About [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium

[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium (PubChem CID 146938303) has the molecular formula C16H18N3O2+ and a molecular weight of 284.34 g/mol. Its IUPAC name is [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium.

Molecular Properties

Compound Name[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium
PubChem CID146938303
Molecular FormulaC16H18N3O2+
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium
SMILESC[NH+](C)c1ccc(C(=O)NN=Cc2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)14-9-7-12(8-10-14)16(21)18-17-11-13-5-3-4-6-15(13)20/h3-11,20H,1-2H3,(H,18,21)/p+1
InChIKeyAGIZWGHZSYMWEP-UHFFFAOYSA-O
XLogP0.93
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136782182
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
1-N,3-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-5-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenoxy]benzene-1,3-dicarboxamide
CID 177388501
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium?
The IUPAC name of [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium (CID 146938303) is [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium.
What is the SMILES notation for [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium?
The canonical SMILES for [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium is C[NH+](C)c1ccc(C(=O)NN=Cc2ccccc2O)cc1.
What is the InChIKey of [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium?
The InChIKey is AGIZWGHZSYMWEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)14-9-7-12(8-10-14)16(21)18-17-11-13-5-3-4-6-15(13)20/h3-11,20H,1-2H3,(H,18,21)/p+1.
What are the key properties of [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium?
[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium has a molecular weight of 284.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium is sourced from PubChem (CID 146938303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).