N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide

C17H18N2O3 — CID 135537541

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(13-8-10-15(20)11-9-13)18-19-17(21)16(22-2)14-6-4-3-5-7-14/h3-11,16,20H,1-2H3,(H,19,21)/b18-12+
InChIKeySWLKGSAZGCJSME-LDADJPATSA-N
MW298.34 g/mol
LogP2.62
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 135537541) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID135537541
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(13-8-10-15(20)11-9-13)18-19-17(21)16(22-2)14-6-4-3-5-7-14/h3-11,16,20H,1-2H3,(H,19,21)/b18-12+
InChIKeySWLKGSAZGCJSME-LDADJPATSA-N
XLogP2.62
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
2-hydroxy-2-phenyl-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 5722582
Methoxy-phenyl-acetic acid [1-(4-tert-butyl-phenyl)-ethylidene]-hydrazide
CID 9592925
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353
Hydroxy-N-[(2-hydroxyphenyl)methylidene](phenyl)ethanehydrazonic acid
CID 258649
N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]-2-methoxy-2-phenylacetohydrazide
CID 6142920
2-(4-fluorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
CID 135472799
trans-(1R,2R)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907423
Methoxy-phenyl-acetic acid (1-p-tolyl-ethylidene)-hydrazide
CID 5779158
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide
CID 135460611
(Z)-2-hydroxy-2-phenyl-N'-((E)-4-phenylbut-3-en-2-ylidene)acetohydrazide
CID 6273819
N'-[(E)-(4-ethoxyphenyl)methylidene]-2-methoxy-2-phenylacetohydrazide
CID 9592870

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide (CID 135537541) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide is COC(C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is SWLKGSAZGCJSME-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(13-8-10-15(20)11-9-13)18-19-17(21)16(22-2)14-6-4-3-5-7-14/h3-11,16,20H,1-2H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 298.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 135537541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).