N-methoxy-4-methylbenzamide

C9H11NO2 — CID 576933

IUPACN-methoxy-4-methylbenzamide
SMILESCONC(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO2/c1-7-3-5-8(6-4-7)9(11)10-12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyGBUZSFILMYQUFA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.29
Rot. Bonds2

About N-methoxy-4-methylbenzamide

N-methoxy-4-methylbenzamide (PubChem CID 576933) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-methoxy-4-methylbenzamide
PubChem CID576933
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-methoxy-4-methylbenzamide
SMILESCONC(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO2/c1-7-3-5-8(6-4-7)9(11)10-12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyGBUZSFILMYQUFA-UHFFFAOYSA-N
XLogP1.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methoxy-4-methylbenzamide 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 N-methoxy-4-methylbenzamide?
The IUPAC name of N-methoxy-4-methylbenzamide (CID 576933) is N-methoxy-4-methylbenzamide.
What is the SMILES notation for N-methoxy-4-methylbenzamide?
The canonical SMILES for N-methoxy-4-methylbenzamide is CONC(=O)c1ccc(C)cc1.
What is the InChIKey of N-methoxy-4-methylbenzamide?
The InChIKey is GBUZSFILMYQUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-5-8(6-4-7)9(11)10-12-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-methoxy-4-methylbenzamide?
N-methoxy-4-methylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methylbenzamide is sourced from PubChem (CID 576933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).