N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide

C17H17NO4 — CID 14450679

IUPACN-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide
SMILESCCOC(=O)c1ccc(/[N+]([O-])=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-3-22-17(19)14-6-8-15(9-7-14)18(20)12-13-4-10-16(21-2)11-5-13/h4-12H,3H2,1-2H3/b18-12-
InChIKeyCNLHGTJETKMLDG-PDGQHHTCSA-N
MW299.33 g/mol
LogP3.13
Rot. Bonds5

About N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide

N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide (PubChem CID 14450679) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide
PubChem CID14450679
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide
SMILESCCOC(=O)c1ccc(/[N+]([O-])=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-3-22-17(19)14-6-8-15(9-7-14)18(20)12-13-4-10-16(21-2)11-5-13/h4-12H,3H2,1-2H3/b18-12-
InChIKeyCNLHGTJETKMLDG-PDGQHHTCSA-N
XLogP3.13
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.13
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 N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine 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 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
1-(4-ethoxycarbonylphenyl)-N-(4-ethoxy-2-formylphenyl)methanimine oxide
CID 89314009
N-(4-cyanophenyl)-1-(4-methoxyphenyl)methanimine oxide
CID 139057561
ethyl 4-[[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 21211618
2,3-diethylbutanedioic acid;ethyl 4-methoxybenzoate
CID 175299226
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
bis(4-ethoxycarbonylphenyl) (Z)-but-2-enedioate
CID 58764671
diethyl 2-[[4-(4-nitrobenzoyl)oxyphenyl]methylidene]propanedioate
CID 59920502
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide?
The IUPAC name of N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide (CID 14450679) is N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide.
What is the SMILES notation for N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide?
The canonical SMILES for N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide is CCOC(=O)c1ccc(/[N+]([O-])=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide?
The InChIKey is CNLHGTJETKMLDG-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-22-17(19)14-6-8-15(9-7-14)18(20)12-13-4-10-16(21-2)11-5-13/h4-12H,3H2,1-2H3/b18-12-.
What are the key properties of N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide?
N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide has a molecular weight of 299.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 14450679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).