2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

C16H17N3O3 — CID 136787439

IUPAC2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cccc(/C=N\NC(=O)c2ccccc2N)c1O
InChIInChI=1S/C16H17N3O3/c1-2-22-14-9-5-6-11(15(14)20)10-18-19-16(21)12-7-3-4-8-13(12)17/h3-10,20H,2,17H2,1H3,(H,19,21)/b18-10-
InChIKeyFLTQOSAKRGVZIG-ZDLGFXPLSA-N
MW299.33 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136787439) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136787439
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cccc(/C=N\NC(=O)c2ccccc2N)c1O
InChIInChI=1S/C16H17N3O3/c1-2-22-14-9-5-6-11(15(14)20)10-18-19-16(21)12-7-3-4-8-13(12)17/h3-10,20H,2,17H2,1H3,(H,19,21)/b18-10-
InChIKeyFLTQOSAKRGVZIG-ZDLGFXPLSA-N
XLogP2.14
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (CID 136787439) is 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is CCOc1cccc(/C=N\NC(=O)c2ccccc2N)c1O.
What is the InChIKey of 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FLTQOSAKRGVZIG-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-22-14-9-5-6-11(15(14)20)10-18-19-16(21)12-7-3-4-8-13(12)17/h3-10,20H,2,17H2,1H3,(H,19,21)/b18-10-.
What are the key properties of 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136787439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).