N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide

C18H21N3O3 — CID 136908099

IUPACN-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCCOc1cccc(/C=N\NC(=O)CNc2ccccc2C)c1O
InChIInChI=1S/C18H21N3O3/c1-3-24-16-10-6-8-14(18(16)23)11-20-21-17(22)12-19-15-9-5-4-7-13(15)2/h4-11,19,23H,3,12H2,1-2H3,(H,21,22)/b20-11-
InChIKeyCCLFCGCWLGSZPI-JAIQZWGSSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds7

About N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide

N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 136908099) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID136908099
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCCOc1cccc(/C=N\NC(=O)CNc2ccccc2C)c1O
InChIInChI=1S/C18H21N3O3/c1-3-24-16-10-6-8-14(18(16)23)11-20-21-17(22)12-19-15-9-5-4-7-13(15)2/h4-11,19,23H,3,12H2,1-2H3,(H,21,22)/b20-11-
InChIKeyCCLFCGCWLGSZPI-JAIQZWGSSA-N
XLogP2.66
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
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

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135644204
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807
2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 968035
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
2-(2,4-dimethylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136899302
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
1-(2,3-dimethylphenyl)-3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 2382768
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136721150

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide (CID 136908099) is N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide is CCOc1cccc(/C=N\NC(=O)CNc2ccccc2C)c1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is CCLFCGCWLGSZPI-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-16-10-6-8-14(18(16)23)11-20-21-17(22)12-19-15-9-5-4-7-13(15)2/h4-11,19,23H,3,12H2,1-2H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 136908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).