N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide

C19H26N2O4 — CID 124755182

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 124755182) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
• PubChem CID: 124755182
• Molecular Formula: C19H26N2O4
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.19
• IUPAC Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
• SMILES: Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC3(CC2)COC(=O)O3)c1
• InChI: InChI=1S/C19H26N2O4/c1-13-4-5-14(2)16(10-13)15(3)20-17(22)11-21-8-6-19(7-9-21)12-24-18(23)25-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,22)/t15-/m0/s1
• InChIKey: PUYDRESONROHTR-HNNXBMFYSA-N
• XLogP: 2.48
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?

The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 124755182) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?

The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC3(CC2)COC(=O)O3)c1.

What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?

The InChIKey is PUYDRESONROHTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-4-5-14(2)16(10-13)15(3)20-17(22)11-21-8-6-19(7-9-21)12-24-18(23)25-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,22)/t15-/m0/s1.

What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 124755182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).