methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate

C18H25N3O5 — CID 59885034

IUPACmethyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate
SMILESCCC(O/N=C(\C)c1ccccc1/C(=N\OC)C(=O)OC)/C(C)=N/OC
InChIInChI=1S/C18H25N3O5/c1-7-16(13(3)19-24-5)26-20-12(2)14-10-8-9-11-15(14)17(21-25-6)18(22)23-4/h8-11,16H,7H2,1-6H3/b19-13+,20-12+,21-17+
InChIKeyHITCWMYIHDUCTP-QENDFBSHSA-N
MW363.41 g/mol
LogP2.75
Rot. Bonds9

About methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate

methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate (PubChem CID 59885034) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate
PubChem CID59885034
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate
SMILESCCC(O/N=C(\C)c1ccccc1/C(=N\OC)C(=O)OC)/C(C)=N/OC
InChIInChI=1S/C18H25N3O5/c1-7-16(13(3)19-24-5)26-20-12(2)14-10-8-9-11-15(14)17(21-25-6)18(22)23-4/h8-11,16H,7H2,1-6H3/b19-13+,20-12+,21-17+
InChIKeyHITCWMYIHDUCTP-QENDFBSHSA-N
XLogP2.75
TPSA91.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

(2Z)-2-methoxyimino-2-[2-[(Z)-N-[(2Z)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]-N-methylacetamide
CID 90886625
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
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CID 174340395
methyl (2Z)-2-methoxyimino-2-[2-[[(Z)-[(3Z)-3-methoxyimino-4-methylpentan-2-ylidene]amino]oxymethyl]phenyl]acetate
CID 24757310
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
methyl (2E)-2-[2-[[(E)-1-(2-ethoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024244
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CID 54460534
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate (CID 59885034) is methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate is CCC(O/N=C(\C)c1ccccc1/C(=N\OC)C(=O)OC)/C(C)=N/OC.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate?
The InChIKey is HITCWMYIHDUCTP-QENDFBSHSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-7-16(13(3)19-24-5)26-20-12(2)14-10-8-9-11-15(14)17(21-25-6)18(22)23-4/h8-11,16H,7H2,1-6H3/b19-13+,20-12+,21-17+.
What are the key properties of methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate?
methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate has a molecular weight of 363.41 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[2-[(E)-N-[(2E)-2-methoxyiminopentan-3-yl]oxy-C-methylcarbonimidoyl]phenyl]acetate is sourced from PubChem (CID 59885034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).