2-cyclobutyl-N-methoxy-N-methylpropanamide

C9H17NO2 — CID 21180845

IUPAC2-cyclobutyl-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)C1CCC1
InChIInChI=1S/C9H17NO2/c1-7(8-5-4-6-8)9(11)10(2)12-3/h7-8H,4-6H2,1-3H3
InChIKeyMBVQAACUURPJAZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.44
Rot. Bonds3

About 2-cyclobutyl-N-methoxy-N-methylpropanamide

2-cyclobutyl-N-methoxy-N-methylpropanamide (PubChem CID 21180845) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-cyclobutyl-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-cyclobutyl-N-methoxy-N-methylpropanamide
PubChem CID21180845
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-cyclobutyl-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)C1CCC1
InChIInChI=1S/C9H17NO2/c1-7(8-5-4-6-8)9(11)10(2)12-3/h7-8H,4-6H2,1-3H3
InChIKeyMBVQAACUURPJAZ-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclobutyl-N-methoxy-N-methylpropanamide 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-cyclobutyl-N-methoxy-N-methylpropanamide?
The IUPAC name of 2-cyclobutyl-N-methoxy-N-methylpropanamide (CID 21180845) is 2-cyclobutyl-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-cyclobutyl-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2-cyclobutyl-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(C)C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-methoxy-N-methylpropanamide?
The InChIKey is MBVQAACUURPJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(8-5-4-6-8)9(11)10(2)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-methoxy-N-methylpropanamide?
2-cyclobutyl-N-methoxy-N-methylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 21180845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).