propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate

C19H21NO4 — CID 135079712

IUPACpropan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C(\C(=O)OC(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)24-19(21)18(14-5-9-16(22-3)10-6-14)20-15-7-11-17(23-4)12-8-15/h5-13H,1-4H3/b20-18-
InChIKeyMBQULHAASMGFQJ-ZZEZOPTASA-N
MW327.38 g/mol
LogP3.78
Rot. Bonds6

About propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate

propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 135079712) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID135079712
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namepropan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C(\C(=O)OC(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)24-19(21)18(14-5-9-16(22-3)10-6-14)20-15-7-11-17(23-4)12-8-15/h5-13H,1-4H3/b20-18-
InChIKeyMBQULHAASMGFQJ-ZZEZOPTASA-N
XLogP3.78
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.78
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 propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate (CID 135079712) is propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate is COc1ccc(/N=C(\C(=O)OC(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is MBQULHAASMGFQJ-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)24-19(21)18(14-5-9-16(22-3)10-6-14)20-15-7-11-17(23-4)12-8-15/h5-13H,1-4H3/b20-18-.
What are the key properties of propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 327.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 135079712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).