methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate

C16H22N2O6 — CID 154724313

IUPACmethyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate
SMILESCO/N=C(\C(=O)OC)c1ccccc1CONC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)18-23-10-11-8-6-7-9-12(11)13(17-22-5)14(19)21-4/h6-9H,10H2,1-5H3,(H,18,20)/b17-13-
InChIKeySMHYWHTZUXYXNC-LGMDPLHJSA-N
MW338.36 g/mol
LogP2.17
Rot. Bonds6

About methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate

methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate (PubChem CID 154724313) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate
PubChem CID154724313
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Namemethyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate
SMILESCO/N=C(\C(=O)OC)c1ccccc1CONC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)18-23-10-11-8-6-7-9-12(11)13(17-22-5)14(19)21-4/h6-9H,10H2,1-5H3,(H,18,20)/b17-13-
InChIKeySMHYWHTZUXYXNC-LGMDPLHJSA-N
XLogP2.17
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.17
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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Related Compounds

methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate
CID 57116646
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CID 91027398
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
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CID 157023984
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl (2E)-2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 90800488
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate
CID 139669238
methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]oxymethyl]phenyl]acetate
CID 18433736
methyl (2Z)-2-methoxyimino-2-[2-[[(Z)-[(3Z)-3-methoxyimino-4-methylpentan-2-ylidene]amino]oxymethyl]phenyl]acetate
CID 24757310

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate?
The IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate (CID 154724313) is methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate?
The canonical SMILES for methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate is CO/N=C(\C(=O)OC)c1ccccc1CONC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate?
The InChIKey is SMHYWHTZUXYXNC-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)18-23-10-11-8-6-7-9-12(11)13(17-22-5)14(19)21-4/h6-9H,10H2,1-5H3,(H,18,20)/b17-13-.
What are the key properties of methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate?
methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate has a molecular weight of 338.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate is sourced from PubChem (CID 154724313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).