3-(3-hydroxypropylimino)-2-methylpropanamide

C₇H₁₄N₂O₂ — CID 123621342

About 3-(3-hydroxypropylimino)-2-methylpropanamide

3-(3-hydroxypropylimino)-2-methylpropanamide (PubChem CID 123621342) has the molecular formula C₇H₁₄N₂O₂ and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(3-hydroxypropylimino)-2-methylpropanamide.

Molecular Properties

• Compound Name: 3-(3-hydroxypropylimino)-2-methylpropanamide
• PubChem CID: 123621342
• Molecular Formula: C₇H₁₄N₂O₂
• Molecular Weight: 158.20 g/mol
• Exact Mass: 158.11
• IUPAC Name: 3-(3-hydroxypropylimino)-2-methylpropanamide
• SMILES: CC(/C=N/CCCO)C(N)=O
• InChI: InChI=1S/C7H14N2O2/c1-6(7(8)11)5-9-3-2-4-10/h5-6,10H,2-4H2,1H3,(H2,8,11)/b9-5+
• InChIKey: OYONNNALIRABPP-WEVVVXLNSA-N
• XLogP: -0.44
• TPSA: 75.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.20
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylimino)-2-methylpropanamide?

The IUPAC name of 3-(3-hydroxypropylimino)-2-methylpropanamide (CID 123621342) is 3-(3-hydroxypropylimino)-2-methylpropanamide.

What is the SMILES notation for 3-(3-hydroxypropylimino)-2-methylpropanamide?

The canonical SMILES for 3-(3-hydroxypropylimino)-2-methylpropanamide is CC(/C=N/CCCO)C(N)=O.

What is the InChIKey of 3-(3-hydroxypropylimino)-2-methylpropanamide?

The InChIKey is OYONNNALIRABPP-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(7(8)11)5-9-3-2-4-10/h5-6,10H,2-4H2,1H3,(H2,8,11)/b9-5+.

What are the key properties of 3-(3-hydroxypropylimino)-2-methylpropanamide?

3-(3-hydroxypropylimino)-2-methylpropanamide has a molecular weight of 158.20 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-hydroxypropylimino)-2-methylpropanamide is sourced from PubChem (CID 123621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123621342 — identifiers, structure, computed properties (public domain)

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