methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate

C12H14ClNO3 — CID 88788827

IUPACmethyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
SMILESCCC(=NOCC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-3-11(14-17-8-12(15)16-2)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyWPQOJAZNLKGYHK-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate

methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate (PubChem CID 88788827) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
PubChem CID88788827
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Namemethyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
SMILESCCC(=NOCC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-3-11(14-17-8-12(15)16-2)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyWPQOJAZNLKGYHK-UHFFFAOYSA-N
XLogP2.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
CID 136991359
1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 173205726
(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
CID 6375107
N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
CID 21157516
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
1-[4-[2-(4-chlorophenyl)-2-methoxyiminoethoxy]phenyl]-1-nitrosopropan-2-one
CID 91177036
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88671840
ethyl 3-(4-tert-butylphenyl)-3-methoxyiminopropanoate
CID 54067537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate?
The IUPAC name of methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate (CID 88788827) is methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate.
What is the SMILES notation for methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate?
The canonical SMILES for methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate is CCC(=NOCC(=O)OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate?
The InChIKey is WPQOJAZNLKGYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-3-11(14-17-8-12(15)16-2)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate?
methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate has a molecular weight of 255.70 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate is sourced from PubChem (CID 88788827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).