2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide

C21H27N3O4 — CID 166818352

IUPAC2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide
SMILESCNC(=O)C(NOC)c1cccc(C)c1CO/N=C(\C)c1cccc(OC)c1
InChIInChI=1S/C21H27N3O4/c1-14-8-6-11-18(20(24-27-5)21(25)22-3)19(14)13-28-23-15(2)16-9-7-10-17(12-16)26-4/h6-12,20,24H,13H2,1-5H3,(H,22,25)/b23-15+
InChIKeyARBHNHJPBBZBGD-HZHRSRAPSA-N
MW385.46 g/mol
LogP2.88
Rot. Bonds9

About 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide

2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide (PubChem CID 166818352) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide
PubChem CID166818352
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide
SMILESCNC(=O)C(NOC)c1cccc(C)c1CO/N=C(\C)c1cccc(OC)c1
InChIInChI=1S/C21H27N3O4/c1-14-8-6-11-18(20(24-27-5)21(25)22-3)19(14)13-28-23-15(2)16-9-7-10-17(12-16)26-4/h6-12,20,24H,13H2,1-5H3,(H,22,25)/b23-15+
InChIKeyARBHNHJPBBZBGD-HZHRSRAPSA-N
XLogP2.88
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide
CID 166821315
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024252
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-[(Z)-N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]acetate
CID 157024037
methyl (2E)-2-[2-[[(E)-1-(3-tert-butylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024249
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-(3-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetate
CID 157024030
(2E)-2-[2-[[(E)-1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 157024258
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate
CID 138968016
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
CID 64635886
1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine
CID 2803437
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide?
The IUPAC name of 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide (CID 166818352) is 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide.
What is the SMILES notation for 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide?
The canonical SMILES for 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide is CNC(=O)C(NOC)c1cccc(C)c1CO/N=C(\C)c1cccc(OC)c1.
What is the InChIKey of 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide?
The InChIKey is ARBHNHJPBBZBGD-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-8-6-11-18(20(24-27-5)21(25)22-3)19(14)13-28-23-15(2)16-9-7-10-17(12-16)26-4/h6-12,20,24H,13H2,1-5H3,(H,22,25)/b23-15+.
What are the key properties of 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide?
2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide has a molecular weight of 385.46 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-2-[2-[[(E)-1-(3-methoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methylacetamide is sourced from PubChem (CID 166818352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).