N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide

C17H18N2O3 — CID 969299

IUPACN-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-12-4-3-5-16(10-12)22-11-17(21)19-18-13(2)14-6-8-15(20)9-7-14/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeySZEPPVAGXAWVQR-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.62
Rot. Bonds5

About N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 969299) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID969299
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-12-4-3-5-16(10-12)22-11-17(21)19-18-13(2)14-6-8-15(20)9-7-14/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeySZEPPVAGXAWVQR-UHFFFAOYSA-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

2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 135828355
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide (CID 969299) is N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide is CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is SZEPPVAGXAWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-3-5-16(10-12)22-11-17(21)19-18-13(2)14-6-8-15(20)9-7-14/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide 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-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 969299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).