2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide

C19H26N4O4 — CID 86758337

IUPAC2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide
SMILESC=C(C)CC(C=NOC(C)c1ccccc1C(=NOC)C(=O)NC)=NOC
InChIInChI=1S/C19H26N4O4/c1-13(2)11-15(22-25-5)12-21-27-14(3)16-9-7-8-10-17(16)18(23-26-6)19(24)20-4/h7-10,12,14H,1,11H2,2-6H3,(H,20,24)
InChIKeyHIUUFHIHAHRTHA-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.82
Rot. Bonds10

About 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide

2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide (PubChem CID 86758337) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide
PubChem CID86758337
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide
SMILESC=C(C)CC(C=NOC(C)c1ccccc1C(=NOC)C(=O)NC)=NOC
InChIInChI=1S/C19H26N4O4/c1-13(2)11-15(22-25-5)12-21-27-14(3)16-9-7-8-10-17(16)18(23-26-6)19(24)20-4/h7-10,12,14H,1,11H2,2-6H3,(H,20,24)
InChIKeyHIUUFHIHAHRTHA-UHFFFAOYSA-N
XLogP2.82
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide (CID 86758337) is 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide is C=C(C)CC(C=NOC(C)c1ccccc1C(=NOC)C(=O)NC)=NOC.
What is the InChIKey of 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide?
The InChIKey is HIUUFHIHAHRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13(2)11-15(22-25-5)12-21-27-14(3)16-9-7-8-10-17(16)18(23-26-6)19(24)20-4/h7-10,12,14H,1,11H2,2-6H3,(H,20,24).
What are the key properties of 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide?
2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide has a molecular weight of 374.44 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-[1-[(2-methoxyimino-4-methylpent-4-enylidene)amino]oxyethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 86758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).