methyl 2-methylimino-2-(4-phenylphenoxy)acetate

C16H15NO3 — CID 144585844

IUPACmethyl 2-methylimino-2-(4-phenylphenoxy)acetate
SMILESC/N=C(/Oc1ccc(-c2ccccc2)cc1)C(=O)OC
InChIInChI=1S/C16H15NO3/c1-17-15(16(18)19-2)20-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-15+
InChIKeyRVQYVQJIXXYJER-BMRADRMJSA-N
MW269.30 g/mol
LogP2.93
Rot. Bonds2

About methyl 2-methylimino-2-(4-phenylphenoxy)acetate

methyl 2-methylimino-2-(4-phenylphenoxy)acetate (PubChem CID 144585844) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-methylimino-2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-methylimino-2-(4-phenylphenoxy)acetate
PubChem CID144585844
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-methylimino-2-(4-phenylphenoxy)acetate
SMILESC/N=C(/Oc1ccc(-c2ccccc2)cc1)C(=O)OC
InChIInChI=1S/C16H15NO3/c1-17-15(16(18)19-2)20-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-15+
InChIKeyRVQYVQJIXXYJER-BMRADRMJSA-N
XLogP2.93
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylimino-2-(4-phenylphenoxy)acetate?
The IUPAC name of methyl 2-methylimino-2-(4-phenylphenoxy)acetate (CID 144585844) is methyl 2-methylimino-2-(4-phenylphenoxy)acetate.
What is the SMILES notation for methyl 2-methylimino-2-(4-phenylphenoxy)acetate?
The canonical SMILES for methyl 2-methylimino-2-(4-phenylphenoxy)acetate is C/N=C(/Oc1ccc(-c2ccccc2)cc1)C(=O)OC.
What is the InChIKey of methyl 2-methylimino-2-(4-phenylphenoxy)acetate?
The InChIKey is RVQYVQJIXXYJER-BMRADRMJSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17-15(16(18)19-2)20-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-15+.
What are the key properties of methyl 2-methylimino-2-(4-phenylphenoxy)acetate?
methyl 2-methylimino-2-(4-phenylphenoxy)acetate has a molecular weight of 269.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylimino-2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 144585844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).