N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide

C34H36N4O8 — CID 139083037

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cccc(C)c2O)c1O.CCOc1cccc(/C=N/NC(=O)c2cccc(C)c2O)c1O
InChIInChI=1S/2C17H18N2O4/c2*1-3-23-14-9-5-7-12(16(14)21)10-18-19-17(22)13-8-4-6-11(2)15(13)20/h2*4-10,20-21H,3H2,1-2H3,(H,19,22)/b2*18-10+
InChIKeyMZZYOBWYCWUSMM-IGJPJNRDSA-N
MW628.68 g/mol
LogP5.14
Rot. Bonds10

About N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide (PubChem CID 139083037) has the molecular formula C34H36N4O8 and a molecular weight of 628.68 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
PubChem CID139083037
Molecular FormulaC34H36N4O8
Molecular Weight628.68 g/mol
Exact Mass628.25
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cccc(C)c2O)c1O.CCOc1cccc(/C=N/NC(=O)c2cccc(C)c2O)c1O
InChIInChI=1S/2C17H18N2O4/c2*1-3-23-14-9-5-7-12(16(14)21)10-18-19-17(22)13-8-4-6-11(2)15(13)20/h2*4-10,20-21H,3H2,1-2H3,(H,19,22)/b2*18-10+
InChIKeyMZZYOBWYCWUSMM-IGJPJNRDSA-N
XLogP5.14
TPSA182.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500628.68
LogP ≤ 55.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 136908099

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide (CID 139083037) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide is CCOc1cccc(/C=N/NC(=O)c2cccc(C)c2O)c1O.CCOc1cccc(/C=N/NC(=O)c2cccc(C)c2O)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
The InChIKey is MZZYOBWYCWUSMM-IGJPJNRDSA-N. The full InChI is InChI=1S/2C17H18N2O4/c2*1-3-23-14-9-5-7-12(16(14)21)10-18-19-17(22)13-8-4-6-11(2)15(13)20/h2*4-10,20-21H,3H2,1-2H3,(H,19,22)/b2*18-10+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide has a molecular weight of 628.68 g/mol, XLogP of 5.14, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 139083037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).