(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide

C18H26N4O4 — CID 90886625

IUPAC(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide
SMILESCCC(O/N=C(/C)c1ccccc1/C(=N/OC)C(=O)NC)/C(C)=N\OC
InChIInChI=1S/C18H26N4O4/c1-7-16(13(3)20-24-5)26-21-12(2)14-10-8-9-11-15(14)17(22-25-6)18(23)19-4/h8-11,16H,7H2,1-6H3,(H,19,23)/b20-13-,21-12-,22-17-
InChIKeyPYGYUDLASNUMER-KELLEJDBSA-N
MW362.43 g/mol
LogP2.32
Rot. Bonds9

About (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide

(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide (PubChem CID 90886625) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide
PubChem CID90886625
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide
SMILESCCC(O/N=C(/C)c1ccccc1/C(=N/OC)C(=O)NC)/C(C)=N\OC
InChIInChI=1S/C18H26N4O4/c1-7-16(13(3)20-24-5)26-21-12(2)14-10-8-9-11-15(14)17(22-25-6)18(23)19-4/h8-11,16H,7H2,1-6H3,(H,19,23)/b20-13-,21-12-,22-17-
InChIKeyPYGYUDLASNUMER-KELLEJDBSA-N
XLogP2.32
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide?
The IUPAC name of (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide (CID 90886625) is (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide.
What is the SMILES notation for (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide?
The canonical SMILES for (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide is CCC(O/N=C(/C)c1ccccc1/C(=N/OC)C(=O)NC)/C(C)=N\OC.
What is the InChIKey of (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide?
The InChIKey is PYGYUDLASNUMER-KELLEJDBSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-7-16(13(3)20-24-5)26-21-12(2)14-10-8-9-11-15(14)17(22-25-6)18(23)19-4/h8-11,16H,7H2,1-6H3,(H,19,23)/b20-13-,21-12-,22-17-.
What are the key properties of (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide?
(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide has a molecular weight of 362.43 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 90886625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).