methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate

C15H20N4O4 — CID 59954799

IUPACmethyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate
SMILESCC/N=C(C)/C(C)=N/Oc1cccnc1/C(=N\OC)C(=O)OC
InChIInChI=1S/C15H20N4O4/c1-6-16-10(2)11(3)18-23-12-8-7-9-17-13(12)14(19-22-5)15(20)21-4/h7-9H,6H2,1-5H3/b16-10+,18-11+,19-14+
InChIKeyLMLJYAVNNIKOBV-LJEMJMDFSA-N
MW320.35 g/mol
LogP1.84
Rot. Bonds7

About methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate

methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate (PubChem CID 59954799) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate
PubChem CID59954799
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Namemethyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate
SMILESCC/N=C(C)/C(C)=N/Oc1cccnc1/C(=N\OC)C(=O)OC
InChIInChI=1S/C15H20N4O4/c1-6-16-10(2)11(3)18-23-12-8-7-9-17-13(12)14(19-22-5)15(20)21-4/h7-9H,6H2,1-5H3/b16-10+,18-11+,19-14+
InChIKeyLMLJYAVNNIKOBV-LJEMJMDFSA-N
XLogP1.84
TPSA94.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate with MolForge

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Launch Full Analysis

Related Compounds

methyl (Z)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-3-methoxyprop-2-enoate
CID 20653024
(2E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]-2-methoxyimino-N-methylacetamide
CID 59954795
methyl (E)-2-[2-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-3-pyridinyl]but-2-enoate
CID 59954813
(2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-4-pyridinyl]-2-methoxyimino-N-methylacetamide
CID 59954790
methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate
CID 20653020
methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate
CID 10979045
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate
CID 12580317
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-[2-[[(E)-1-(2-ethoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024244
methyl (2E)-2-[2-[[(E)-1-isoquinolin-1-ylethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 162729179
methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate
CID 139669245

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate (CID 59954799) is methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate is CC/N=C(C)/C(C)=N/Oc1cccnc1/C(=N\OC)C(=O)OC.
What is the InChIKey of methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate?
The InChIKey is LMLJYAVNNIKOBV-LJEMJMDFSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-6-16-10(2)11(3)18-23-12-8-7-9-17-13(12)14(19-22-5)15(20)21-4/h7-9H,6H2,1-5H3/b16-10+,18-11+,19-14+.
What are the key properties of methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate?
methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate has a molecular weight of 320.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate is sourced from PubChem (CID 59954799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).