methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate

C12H15NO4 — CID 10847464

IUPACmethyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
SMILESCOC(=O)C/C(=N/c1ccc(OC)cc1)OC
InChIInChI=1S/C12H15NO4/c1-15-10-6-4-9(5-7-10)13-11(16-2)8-12(14)17-3/h4-7H,8H2,1-3H3/b13-11-
InChIKeyDQZWBKPABGUPOG-QBFSEMIESA-N
MW237.25 g/mol
LogP1.93
Rot. Bonds4

About methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate

methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate (PubChem CID 10847464) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
PubChem CID10847464
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
SMILESCOC(=O)C/C(=N/c1ccc(OC)cc1)OC
InChIInChI=1S/C12H15NO4/c1-15-10-6-4-9(5-7-10)13-11(16-2)8-12(14)17-3/h4-7H,8H2,1-3H3/b13-11-
InChIKeyDQZWBKPABGUPOG-QBFSEMIESA-N
XLogP1.93
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-ethoxyphenyl)iminobutanoate
CID 90729914
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418
bis(4-methoxyphenyl) propanedioate
CID 12000137
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-(4-methoxyphenyl)butan-2-imine
CID 15683591
dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
CID 91290433
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate?
The IUPAC name of methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate (CID 10847464) is methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate.
What is the SMILES notation for methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate?
The canonical SMILES for methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate is COC(=O)C/C(=N/c1ccc(OC)cc1)OC.
What is the InChIKey of methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate?
The InChIKey is DQZWBKPABGUPOG-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-10-6-4-9(5-7-10)13-11(16-2)8-12(14)17-3/h4-7H,8H2,1-3H3/b13-11-.
What are the key properties of methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate?
methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate has a molecular weight of 237.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate is sourced from PubChem (CID 10847464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).