methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate

C17H17NO4 — CID 102027498

IUPACmethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H17NO4/c1-20-14-8-4-12(5-9-14)16(17(19)22-3)18-13-6-10-15(21-2)11-7-13/h4-11H,1-3H3/b18-16-
InChIKeyPLYASSXLQAUWQN-VLGSPTGOSA-N
MW299.33 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate

methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 102027498) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID102027498
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H17NO4/c1-20-14-8-4-12(5-9-14)16(17(19)22-3)18-13-6-10-15(21-2)11-7-13/h4-11H,1-3H3/b18-16-
InChIKeyPLYASSXLQAUWQN-VLGSPTGOSA-N
XLogP3.00
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate (CID 102027498) is methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate is COC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is PLYASSXLQAUWQN-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-14-8-4-12(5-9-14)16(17(19)22-3)18-13-6-10-15(21-2)11-7-13/h4-11H,1-3H3/b18-16-.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 299.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 102027498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).