2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide

C12H15NO4 — CID 11379379

IUPAC2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide
SMILESCCOC(=O)/C=[N+](/[O-])Cc1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-17-12(14)9-13(15)8-10-4-6-11(16-2)7-5-10/h4-7,9H,3,8H2,1-2H3/b13-9+
InChIKeyKASNOHUGWGHNSM-UKTHLTGXSA-N
MW237.25 g/mol
LogP1.34
Rot. Bonds5

About 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide

2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide (PubChem CID 11379379) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide
PubChem CID11379379
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide
SMILESCCOC(=O)/C=[N+](/[O-])Cc1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-17-12(14)9-13(15)8-10-4-6-11(16-2)7-5-10/h4-7,9H,3,8H2,1-2H3/b13-9+
InChIKeyKASNOHUGWGHNSM-UKTHLTGXSA-N
XLogP1.34
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.34
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
CID 75985313
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
ethyl 4-(4-methoxyphenoxy)but-2-enoate
CID 71364668
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
1-O-ethyl 4-O-[2-(4-methoxyphenoxy)-2-oxoethyl] but-2-enedioate
CID 69126314
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide?
The IUPAC name of 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide (CID 11379379) is 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide.
What is the SMILES notation for 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide?
The canonical SMILES for 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide is CCOC(=O)/C=[N+](/[O-])Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide?
The InChIKey is KASNOHUGWGHNSM-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-17-12(14)9-13(15)8-10-4-6-11(16-2)7-5-10/h4-7,9H,3,8H2,1-2H3/b13-9+.
What are the key properties of 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide?
2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide has a molecular weight of 237.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide is sourced from PubChem (CID 11379379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).