N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide

C18H20N2O4 — CID 135519934

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H20N2O4/c1-3-13-4-7-15(8-5-13)24-11-18(23)20-19-12(2)16-9-6-14(21)10-17(16)22/h4-10,21-22H,3,11H2,1-2H3,(H,20,23)/b19-12+
InChIKeyFSZRFZJWJKIMLG-XDHOZWIPSA-N
MW328.37 g/mol
LogP2.58
Rot. Bonds6

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 135519934) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID135519934
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H20N2O4/c1-3-13-4-7-15(8-5-13)24-11-18(23)20-19-12(2)16-9-6-14(21)10-17(16)22/h4-10,21-22H,3,11H2,1-2H3,(H,20,23)/b19-12+
InChIKeyFSZRFZJWJKIMLG-XDHOZWIPSA-N
XLogP2.58
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide (CID 135519934) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is FSZRFZJWJKIMLG-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-13-4-7-15(8-5-13)24-11-18(23)20-19-12(2)16-9-6-14(21)10-17(16)22/h4-10,21-22H,3,11H2,1-2H3,(H,20,23)/b19-12+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 135519934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).