3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide

C9H15NO3 — CID 18374694

IUPAC3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide
SMILESCON(C)C(=O)C(=O)CC1CCC1
InChIInChI=1S/C9H15NO3/c1-10(13-2)9(12)8(11)6-7-4-3-5-7/h7H,3-6H2,1-2H3
InChIKeyZAIKRMFGTVTGFZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds4

About 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide

3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide (PubChem CID 18374694) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide
PubChem CID18374694
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide
SMILESCON(C)C(=O)C(=O)CC1CCC1
InChIInChI=1S/C9H15NO3/c1-10(13-2)9(12)8(11)6-7-4-3-5-7/h7H,3-6H2,1-2H3
InChIKeyZAIKRMFGTVTGFZ-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide?
The IUPAC name of 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide (CID 18374694) is 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide.
What is the SMILES notation for 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide?
The canonical SMILES for 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide is CON(C)C(=O)C(=O)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide?
The InChIKey is ZAIKRMFGTVTGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(13-2)9(12)8(11)6-7-4-3-5-7/h7H,3-6H2,1-2H3.
What are the key properties of 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide?
3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide has a molecular weight of 185.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide is sourced from PubChem (CID 18374694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).