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

C17H18N2O3 — CID 3660040

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=C(C)c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-12(15-5-3-4-6-16(15)20)18-19-17(21)11-13-7-9-14(22-2)10-8-13/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyRUNZZESCIYOOPX-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.48
Rot. Bonds5

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

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 3660040) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID3660040
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=C(C)c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-12(15-5-3-4-6-16(15)20)18-19-17(21)11-13-7-9-14(22-2)10-8-13/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyRUNZZESCIYOOPX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide (CID 3660040) is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NN=C(C)c2ccccc2O)cc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is RUNZZESCIYOOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(15-5-3-4-6-16(15)20)18-19-17(21)11-13-7-9-14(22-2)10-8-13/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3660040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).