N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane

C23H41NO6 — CID 142428418

About N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane

N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane (PubChem CID 142428418) has the molecular formula C23H41NO6 and a molecular weight of 427.58 g/mol. Its IUPAC name is N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane.

Molecular Properties

• Compound Name: N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane
• PubChem CID: 142428418
• Molecular Formula: C23H41NO6
• Molecular Weight: 427.58 g/mol
• Exact Mass: 427.29
• IUPAC Name: N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane
• SMILES: C=C1C[C@@](CC(=O)NCC2CC(=O)C(C)(C)CO2)(OC)OC(C)C1C.CCCOC
• InChI: InChI=1S/C19H31NO5.C4H10O/c1-12-8-19(23-6,25-14(3)13(12)2)9-17(22)20-10-15-7-16(21)18(4,5)11-24-15;1-3-4-5-2/h13-15H,1,7-11H2,2-6H3,(H,20,22);3-4H2,1-2H3/t13?,14?,15?,19-;/m1./s1
• InChIKey: KCYZMNKAHBZMKJ-WAFVLKTFSA-N
• XLogP: 3.26
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.58
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane?

The IUPAC name of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane (CID 142428418) is N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane.

What is the SMILES notation for N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane?

The canonical SMILES for N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane is C=C1C[C@@](CC(=O)NCC2CC(=O)C(C)(C)CO2)(OC)OC(C)C1C.CCCOC.

What is the InChIKey of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane?

The InChIKey is KCYZMNKAHBZMKJ-WAFVLKTFSA-N. The full InChI is InChI=1S/C19H31NO5.C4H10O/c1-12-8-19(23-6,25-14(3)13(12)2)9-17(22)20-10-15-7-16(21)18(4,5)11-24-15;1-3-4-5-2/h13-15H,1,7-11H2,2-6H3,(H,20,22);3-4H2,1-2H3/t13?,14?,15?,19-;/m1./s1.

What are the key properties of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane?

N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane has a molecular weight of 427.58 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane is sourced from PubChem (CID 142428418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).