N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide

C17H18N2O4 — CID 110509480

IUPACN-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1c(/C=N\NC(=O)c2ccccc2O)cccc1OC
InChIInChI=1S/C17H18N2O4/c1-3-23-16-12(7-6-10-15(16)22-2)11-18-19-17(21)13-8-4-5-9-14(13)20/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-11-
InChIKeyLRXVBXNYKXNGJC-WQRHYEAKSA-N
MW314.34 g/mol
LogP2.56
Rot. Bonds6

About N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 110509480) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID110509480
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1c(/C=N\NC(=O)c2ccccc2O)cccc1OC
InChIInChI=1S/C17H18N2O4/c1-3-23-16-12(7-6-10-15(16)22-2)11-18-19-17(21)13-8-4-5-9-14(13)20/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-11-
InChIKeyLRXVBXNYKXNGJC-WQRHYEAKSA-N
XLogP2.56
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 9077721
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506616
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110339182
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056
2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3294839

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 110509480) is N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide is CCOc1c(/C=N\NC(=O)c2ccccc2O)cccc1OC.
What is the InChIKey of N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is LRXVBXNYKXNGJC-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-23-16-12(7-6-10-15(16)22-2)11-18-19-17(21)13-8-4-5-9-14(13)20/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 110509480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).