2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide

C20H27FN2O2 — CID 133145149

About 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide

2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide (PubChem CID 133145149) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
• PubChem CID: 133145149
• Molecular Formula: C20H27FN2O2
• Molecular Weight: 346.45 g/mol
• Exact Mass: 346.21
• IUPAC Name: 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
• SMILES: O=C(CC1CC1)NCCC1CCOC12CN(Cc1ccccc1F)C2
• InChI: InChI=1S/C20H27FN2O2/c21-18-4-2-1-3-16(18)12-23-13-20(14-23)17(8-10-25-20)7-9-22-19(24)11-15-5-6-15/h1-4,15,17H,5-14H2,(H,22,24)
• InChIKey: XMMURXPGMSBZQG-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.45
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide (CID 133145149) is 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide is O=C(CC1CC1)NCCC1CCOC12CN(Cc1ccccc1F)C2.

What is the InChIKey of 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

The InChIKey is XMMURXPGMSBZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-4-2-1-3-16(18)12-23-13-20(14-23)17(8-10-25-20)7-9-22-19(24)11-15-5-6-15/h1-4,15,17H,5-14H2,(H,22,24).

What are the key properties of 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide?

2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide is sourced from PubChem (CID 133145149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).