methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium

C11H15N2O2+ — CID 144695652

IUPACmethoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium
SMILESC=[N+](OC)c1ccc(C(=O)NC)c(C)c1
InChIInChI=1S/C11H14N2O2/c1-8-7-9(13(3)15-4)5-6-10(8)11(14)12-2/h5-7H,3H2,1-2,4H3/p+1
InChIKeyNYBKDAFRPVSERX-UHFFFAOYSA-O
MW207.25 g/mol
LogP1.26
Rot. Bonds3

About methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium

methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium (PubChem CID 144695652) has the molecular formula C11H15N2O2+ and a molecular weight of 207.25 g/mol. Its IUPAC name is methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium.

Molecular Properties

Compound Namemethoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium
PubChem CID144695652
Molecular FormulaC11H15N2O2+
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Namemethoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium
SMILESC=[N+](OC)c1ccc(C(=O)NC)c(C)c1
InChIInChI=1S/C11H14N2O2/c1-8-7-9(13(3)15-4)5-6-10(8)11(14)12-2/h5-7H,3H2,1-2,4H3/p+1
InChIKeyNYBKDAFRPVSERX-UHFFFAOYSA-O
XLogP1.26
TPSA41.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium?
The IUPAC name of methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium (CID 144695652) is methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium.
What is the SMILES notation for methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium?
The canonical SMILES for methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium is C=[N+](OC)c1ccc(C(=O)NC)c(C)c1.
What is the InChIKey of methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium?
The InChIKey is NYBKDAFRPVSERX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O2/c1-8-7-9(13(3)15-4)5-6-10(8)11(14)12-2/h5-7H,3H2,1-2,4H3/p+1.
What are the key properties of methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium?
methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium has a molecular weight of 207.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methylidene-[3-methyl-4-(methylcarbamoyl)phenyl]azanium is sourced from PubChem (CID 144695652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).