N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

C17H18N2O4 — CID 135537517

IUPACN-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)C(O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H18N2O4/c1-2-23-14-9-8-13(15(20)10-14)11-18-19-17(22)16(21)12-6-4-3-5-7-12/h3-11,16,20-21H,2H2,1H3,(H,19,22)/b18-11+
InChIKeyDEFGWURODWIORY-WOJGMQOQSA-N
MW314.34 g/mol
LogP1.97
Rot. Bonds6

About N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 135537517) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID135537517
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)C(O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H18N2O4/c1-2-23-14-9-8-13(15(20)10-14)11-18-19-17(22)16(21)12-6-4-3-5-7-12/h3-11,16,20-21H,2H2,1H3,(H,19,22)/b18-11+
InChIKeyDEFGWURODWIORY-WOJGMQOQSA-N
XLogP1.97
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[2-(Phenylacetyl-hydrazonomethyl)-phenoxy]-acetic acid
CID 6908212
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 135519934
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135489099
N'-[4-methoxy-3-(methoxymethyl)benzylidene]-2-(4-methoxyphenyl)acetohydrazide
CID 5412031
3-(Acetyloxy)-4-{2-[(2-allylphenoxy)acetyl]carbohydrazonoyl}phenyl acetate
CID 6876607
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135550888
N'-[(E)-(2-Hydroxy-5-methylphenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-YL)oxy]acetohydrazide
CID 135550889
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
N'-[(E)-(2,4-diethoxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 25237216
{2-[(E)-{2-[hydroxy(phenyl)acetyl]hydrazinylidene}methyl]phenoxy}acetic acid
CID 9592824
Hydroxy-phenyl-acetic acid (2,5-dimethoxy-benzylidene)-hydrazide
CID 9592826

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 135537517) is N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is CCOc1ccc(/C=N/NC(=O)C(O)c2ccccc2)c(O)c1.
What is the InChIKey of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is DEFGWURODWIORY-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-23-14-9-8-13(15(20)10-14)11-18-19-17(22)16(21)12-6-4-3-5-7-12/h3-11,16,20-21H,2H2,1H3,(H,19,22)/b18-11+.
What are the key properties of N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 314.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 135537517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).