N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

C19H22N2O4 — CID 135615022

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1
InChIInChI=1S/C19H22N2O4/c1-3-5-14-8-10-16(11-9-14)25-13-18(22)21-20-12-15-6-4-7-17(24-2)19(15)23/h4,6-12,23H,3,5,13H2,1-2H3,(H,21,22)/b20-12+
InChIKeyMIBLILVMGBZKEC-UDWIEESQSA-N
MW342.40 g/mol
LogP2.88
Rot. Bonds8

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (PubChem CID 135615022) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
PubChem CID135615022
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1
InChIInChI=1S/C19H22N2O4/c1-3-5-14-8-10-16(11-9-14)25-13-18(22)21-20-12-15-6-4-7-17(24-2)19(15)23/h4,6-12,23H,3,5,13H2,1-2H3,(H,21,22)/b20-12+
InChIKeyMIBLILVMGBZKEC-UDWIEESQSA-N
XLogP2.88
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
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-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 3684670
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 135549613
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135665062
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 787794
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136661400
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (CID 135615022) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The InChIKey is MIBLILVMGBZKEC-UDWIEESQSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-5-14-8-10-16(11-9-14)25-13-18(22)21-20-12-15-6-4-7-17(24-2)19(15)23/h4,6-12,23H,3,5,13H2,1-2H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 135615022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).