2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide

C₁₂H₂₃NO₂ — CID 141190006

About 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide

2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide (PubChem CID 141190006) has the molecular formula C₁₂H₂₃NO₂ and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide
• PubChem CID: 141190006
• Molecular Formula: C₁₂H₂₃NO₂
• Molecular Weight: 213.32 g/mol
• Exact Mass: 213.17
• IUPAC Name: 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide
• SMILES: C[C@H]1COCC[C@@H]1CNC(=O)C(C)(C)C
• InChI: InChI=1S/C12H23NO2/c1-9-8-15-6-5-10(9)7-13-11(14)12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1
• InChIKey: FTRBLOSXSCGYKN-VHSXEESVSA-N
• XLogP: 1.82
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.32
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide (CID 141190006) is 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide is C[C@H]1COCC[C@@H]1CNC(=O)C(C)(C)C.

What is the InChIKey of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?

The InChIKey is FTRBLOSXSCGYKN-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-8-15-6-5-10(9)7-13-11(14)12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1.

What are the key properties of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?

2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide is sourced from PubChem (CID 141190006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141190006 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.