N-butoxy-2-methylidenebutanamide

C₉H₁₇NO₂ — CID 151866708

About N-butoxy-2-methylidenebutanamide

N-butoxy-2-methylidenebutanamide (PubChem CID 151866708) has the molecular formula C₉H₁₇NO₂ and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butoxy-2-methylidenebutanamide.

Molecular Properties

• Compound Name: N-butoxy-2-methylidenebutanamide
• PubChem CID: 151866708
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.24 g/mol
• Exact Mass: 171.13
• IUPAC Name: N-butoxy-2-methylidenebutanamide
• SMILES: C=C(CC)C(=O)NOCCCC
• InChI: InChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h3-7H2,1-2H3,(H,10,11)
• InChIKey: SLVFAOJBCVQSDX-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.24
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butoxy-2-methylidenebutanamide?

The IUPAC name of N-butoxy-2-methylidenebutanamide (CID 151866708) is N-butoxy-2-methylidenebutanamide.

What is the SMILES notation for N-butoxy-2-methylidenebutanamide?

The canonical SMILES for N-butoxy-2-methylidenebutanamide is C=C(CC)C(=O)NOCCCC.

What is the InChIKey of N-butoxy-2-methylidenebutanamide?

The InChIKey is SLVFAOJBCVQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h3-7H2,1-2H3,(H,10,11).

What are the key properties of N-butoxy-2-methylidenebutanamide?

N-butoxy-2-methylidenebutanamide has a molecular weight of 171.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-butoxy-2-methylidenebutanamide is sourced from PubChem (CID 151866708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151866708 — identifiers, structure, computed properties (public domain)

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