2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide

C20H24ClN3O3 — CID 166821315

IUPAC2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide
SMILESCNC(=O)C(NOC)c1cccc(C)c1CO/N=C(\C)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O3/c1-13-6-5-7-17(19(24-26-4)20(25)22-3)18(13)12-27-23-14(2)15-8-10-16(21)11-9-15/h5-11,19,24H,12H2,1-4H3,(H,22,25)/b23-14+
InChIKeyOGMQUZKHCDVHSD-OEAKJJBVSA-N
MW389.88 g/mol
LogP3.53
Rot. Bonds8

About 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide

2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide (PubChem CID 166821315) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide
PubChem CID166821315
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide
SMILESCNC(=O)C(NOC)c1cccc(C)c1CO/N=C(\C)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O3/c1-13-6-5-7-17(19(24-26-4)20(25)22-3)18(13)12-27-23-14(2)15-8-10-16(21)11-9-15/h5-11,19,24H,12H2,1-4H3,(H,22,25)/b23-14+
InChIKeyOGMQUZKHCDVHSD-OEAKJJBVSA-N
XLogP3.53
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide?
The IUPAC name of 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide (CID 166821315) is 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide.
What is the SMILES notation for 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide?
The canonical SMILES for 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide is CNC(=O)C(NOC)c1cccc(C)c1CO/N=C(\C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide?
The InChIKey is OGMQUZKHCDVHSD-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-13-6-5-7-17(19(24-26-4)20(25)22-3)18(13)12-27-23-14(2)15-8-10-16(21)11-9-15/h5-11,19,24H,12H2,1-4H3,(H,22,25)/b23-14+.
What are the key properties of 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide?
2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide has a molecular weight of 389.88 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide is sourced from PubChem (CID 166821315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).