N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide

C20H19N3O2 — CID 922110

IUPACN-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCC(=NNC(=O)COc1cccc2ccccc12)c1cccc(N)c1
InChIInChI=1S/C20H19N3O2/c1-14(16-8-4-9-17(21)12-16)22-23-20(24)13-25-19-11-5-7-15-6-2-3-10-18(15)19/h2-12H,13,21H2,1H3,(H,23,24)
InChIKeyKKUWYLNQYQTKID-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide

N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 922110) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID922110
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCC(=NNC(=O)COc1cccc2ccccc12)c1cccc(N)c1
InChIInChI=1S/C20H19N3O2/c1-14(16-8-4-9-17(21)12-16)22-23-20(24)13-25-19-11-5-7-15-6-2-3-10-18(15)19/h2-12H,13,21H2,1H3,(H,23,24)
InChIKeyKKUWYLNQYQTKID-UHFFFAOYSA-N
XLogP3.34
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.34
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

2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 6178293
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927512
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide (CID 922110) is N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide is CC(=NNC(=O)COc1cccc2ccccc12)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is KKUWYLNQYQTKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(16-8-4-9-17(21)12-16)22-23-20(24)13-25-19-11-5-7-15-6-2-3-10-18(15)19/h2-12H,13,21H2,1H3,(H,23,24).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 333.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 922110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).