N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C20H25N3O2 — CID 5419872

IUPACN-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cccc(N)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)18-9-8-14(3)10-19(18)25-12-20(24)23-22-15(4)16-6-5-7-17(21)11-16/h5-11,13H,12,21H2,1-4H3,(H,23,24)/b22-15+
InChIKeyKEQJXRMEAUIUFZ-PXLXIMEGSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds6

About N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 5419872) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID5419872
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cccc(N)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)18-9-8-14(3)10-19(18)25-12-20(24)23-22-15(4)16-6-5-7-17(21)11-16/h5-11,13H,12,21H2,1-4H3,(H,23,24)/b22-15+
InChIKeyKEQJXRMEAUIUFZ-PXLXIMEGSA-N
XLogP3.62
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 18205959
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929725
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 3748878
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5174343
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 5419872) is N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cccc(N)c1.
What is the InChIKey of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is KEQJXRMEAUIUFZ-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)18-9-8-14(3)10-19(18)25-12-20(24)23-22-15(4)16-6-5-7-17(21)11-16/h5-11,13H,12,21H2,1-4H3,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 5419872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).