N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide

C17H19N3O2 — CID 5428196

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O2/c1-12-5-3-4-6-16(12)22-11-17(21)20-19-13(2)14-7-9-15(18)10-8-14/h3-10H,11,18H2,1-2H3,(H,20,21)/b19-13+
InChIKeyMYSWXHLGIMIUIA-CPNJWEJPSA-N
MW297.36 g/mol
LogP2.50
Rot. Bonds5

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 5428196) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID5428196
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O2/c1-12-5-3-4-6-16(12)22-11-17(21)20-19-13(2)14-7-9-15(18)10-8-14/h3-10H,11,18H2,1-2H3,(H,20,21)/b19-13+
InChIKeyMYSWXHLGIMIUIA-CPNJWEJPSA-N
XLogP2.50
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', '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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide (CID 5428196) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide is C/C(=N\NC(=O)COc1ccccc1C)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is MYSWXHLGIMIUIA-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-5-3-4-6-16(12)22-11-17(21)20-19-13(2)14-7-9-15(18)10-8-14/h3-10H,11,18H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 5428196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).