N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide

C17H19N3O3 — CID 5419932

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C(/C)c1cccc(N)c1
InChIInChI=1S/C17H19N3O3/c1-12(13-6-5-7-14(18)10-13)19-20-17(21)11-23-16-9-4-3-8-15(16)22-2/h3-10H,11,18H2,1-2H3,(H,20,21)/b19-12-
InChIKeyMKFMUOZIXGIWIJ-UNOMPAQXSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds6

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 5419932) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID5419932
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C(/C)c1cccc(N)c1
InChIInChI=1S/C17H19N3O3/c1-12(13-6-5-7-14(18)10-13)19-20-17(21)11-23-16-9-4-3-8-15(16)22-2/h3-10H,11,18H2,1-2H3,(H,20,21)/b19-12-
InChIKeyMKFMUOZIXGIWIJ-UNOMPAQXSA-N
XLogP2.20
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-naphthalen-1-yloxyacetamide
CID 922110
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-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 6178293
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
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
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315700
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 5419932) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C(/C)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is MKFMUOZIXGIWIJ-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(13-6-5-7-14(18)10-13)19-20-17(21)11-23-16-9-4-3-8-15(16)22-2/h3-10H,11,18H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 5419932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).