[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate

C10H12N2O4 — CID 10353566

IUPAC[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
SMILESCO/C(N)=N/OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H12N2O4/c1-14-8-5-3-7(4-6-8)9(13)16-12-10(11)15-2/h3-6H,1-2H3,(H2,11,12)
InChIKeyJLRCELKMTBEXSU-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.73
Rot. Bonds3

About [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate

[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate (PubChem CID 10353566) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
PubChem CID10353566
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
SMILESCO/C(N)=N/OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H12N2O4/c1-14-8-5-3-7(4-6-8)9(13)16-12-10(11)15-2/h3-6H,1-2H3,(H2,11,12)
InChIKeyJLRCELKMTBEXSU-UHFFFAOYSA-N
XLogP0.73
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate 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

[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
formic acid;methyl 4-methoxybenzoate
CID 159779883
anisole;methyl 4-methoxybenzoate
CID 158093995
[[amino-(4-methoxyphenyl)methylidene]amino] 3-fluorobenzoate
CID 2876742
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
4-methoxybenzoic acid;silver
CID 140722019
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate?
The IUPAC name of [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate (CID 10353566) is [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate.
What is the SMILES notation for [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate?
The canonical SMILES for [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate is CO/C(N)=N/OC(=O)c1ccc(OC)cc1.
What is the InChIKey of [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate?
The InChIKey is JLRCELKMTBEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-14-8-5-3-7(4-6-8)9(13)16-12-10(11)15-2/h3-6H,1-2H3,(H2,11,12).
What are the key properties of [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate?
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate has a molecular weight of 224.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate is sourced from PubChem (CID 10353566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).