N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide

C₉H₁₅NO₃ — CID 172509097

About N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide

N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide (PubChem CID 172509097) has the molecular formula C₉H₁₅NO₃ and a molecular weight of 185.22 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
• PubChem CID: 172509097
• Molecular Formula: C₉H₁₅NO₃
• Molecular Weight: 185.22 g/mol
• Exact Mass: 185.11
• IUPAC Name: N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
• SMILES: CON(C)C(=O)C1CCCC(=O)C1
• InChI: InChI=1S/C9H15NO3/c1-10(13-2)9(12)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3
• InChIKey: CBHWHESBGYQWDY-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.22
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?

The IUPAC name of N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide (CID 172509097) is N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide.

What is the SMILES notation for N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?

The canonical SMILES for N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide is CON(C)C(=O)C1CCCC(=O)C1.

What is the InChIKey of N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?

The InChIKey is CBHWHESBGYQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(13-2)9(12)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3.

What are the key properties of N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?

N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 172509097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172509097 — identifiers, structure, computed properties (public domain)

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