3-cyclobutyl-N,N-dimethyl-2-oxopropanamide

C9H15NO2 — CID 22977910

IUPAC3-cyclobutyl-N,N-dimethyl-2-oxopropanamide
SMILESCN(C)C(=O)C(=O)CC1CCC1
InChIInChI=1S/C9H15NO2/c1-10(2)9(12)8(11)6-7-4-3-5-7/h7H,3-6H2,1-2H3
InChIKeyMQDRCQDYTPORJY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds3

About 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide

3-cyclobutyl-N,N-dimethyl-2-oxopropanamide (PubChem CID 22977910) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide.

Molecular Properties

Compound Name3-cyclobutyl-N,N-dimethyl-2-oxopropanamide
PubChem CID22977910
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-cyclobutyl-N,N-dimethyl-2-oxopropanamide
SMILESCN(C)C(=O)C(=O)CC1CCC1
InChIInChI=1S/C9H15NO2/c1-10(2)9(12)8(11)6-7-4-3-5-7/h7H,3-6H2,1-2H3
InChIKeyMQDRCQDYTPORJY-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide 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 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide?
The IUPAC name of 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide (CID 22977910) is 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide.
What is the SMILES notation for 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide?
The canonical SMILES for 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide is CN(C)C(=O)C(=O)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide?
The InChIKey is MQDRCQDYTPORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(2)9(12)8(11)6-7-4-3-5-7/h7H,3-6H2,1-2H3.
What are the key properties of 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide?
3-cyclobutyl-N,N-dimethyl-2-oxopropanamide has a molecular weight of 169.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N,N-dimethyl-2-oxopropanamide is sourced from PubChem (CID 22977910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).