2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide

C13H15NO2 — CID 729749

IUPAC2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1ccccc1OC
InChIInChI=1S/C13H15NO2/c1-5-13(2,3)14-12(15)10-8-6-7-9-11(10)16-4/h1,6-9H,2-4H3,(H,14,15)
InChIKeyDYWSRTILTFQPCX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds3

About 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide

2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide (PubChem CID 729749) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide
PubChem CID729749
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1ccccc1OC
InChIInChI=1S/C13H15NO2/c1-5-13(2,3)14-12(15)10-8-6-7-9-11(10)16-4/h1,6-9H,2-4H3,(H,14,15)
InChIKeyDYWSRTILTFQPCX-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide 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 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide (CID 729749) is 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide is C#CC(C)(C)NC(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide?
The InChIKey is DYWSRTILTFQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-5-13(2,3)14-12(15)10-8-6-7-9-11(10)16-4/h1,6-9H,2-4H3,(H,14,15).
What are the key properties of 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide?
2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide has a molecular weight of 217.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylbut-3-yn-2-yl)benzamide is sourced from PubChem (CID 729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).