N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide

C17H18N2O4 — CID 5397447

IUPACN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccccc2O)c(OC)c1
InChIInChI=1S/C17H18N2O4/c1-11(13-9-8-12(22-2)10-16(13)23-3)18-19-17(21)14-6-4-5-7-15(14)20/h4-10,20H,1-3H3,(H,19,21)/b18-11-
InChIKeyMOQSDPBUGLVWAZ-WQRHYEAKSA-N
MW314.34 g/mol
LogP2.56
Rot. Bonds5

About N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide

N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 5397447) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID5397447
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccccc2O)c(OC)c1
InChIInChI=1S/C17H18N2O4/c1-11(13-9-8-12(22-2)10-16(13)23-3)18-19-17(21)14-6-4-5-7-15(14)20/h4-10,20H,1-3H3,(H,19,21)/b18-11-
InChIKeyMOQSDPBUGLVWAZ-WQRHYEAKSA-N
XLogP2.56
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide (CID 5397447) is N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide is COc1ccc(/C(C)=N\NC(=O)c2ccccc2O)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is MOQSDPBUGLVWAZ-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(13-9-8-12(22-2)10-16(13)23-3)18-19-17(21)14-6-4-5-7-15(14)20/h4-10,20H,1-3H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5397447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).