2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide

C12H17N3O2 — CID 76867264

IUPAC2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide
SMILESCCNC(=O)CON=C(N)Cc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-2-14-12(16)9-17-15-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,15)(H,14,16)
InChIKeyRRHQYLVHRVERFI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds6

About 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide

2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide (PubChem CID 76867264) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide
PubChem CID76867264
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide
SMILESCCNC(=O)CON=C(N)Cc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-2-14-12(16)9-17-15-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,15)(H,14,16)
InChIKeyRRHQYLVHRVERFI-UHFFFAOYSA-N
XLogP0.65
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide
CID 136556054
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide
CID 16544849
2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
CID 75264209
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
[(Z)-(1-amino-2-phenylethylidene)amino] 2-methylbenzoate
CID 133221307
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide?
The IUPAC name of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide (CID 76867264) is 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide.
What is the SMILES notation for 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide?
The canonical SMILES for 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide is CCNC(=O)CON=C(N)Cc1ccccc1.
What is the InChIKey of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide?
The InChIKey is RRHQYLVHRVERFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-14-12(16)9-17-15-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide?
2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide is sourced from PubChem (CID 76867264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).