N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C22H29F3N2O3 — CID 71955937

About N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71955937) has the molecular formula C22H29F3N2O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
• PubChem CID: 71955937
• Molecular Formula: C22H29F3N2O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.21
• IUPAC Name: N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
• SMILES: CCC(C)NC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C22H29F3N2O3/c1-4-15(3)26-19(28)18-13-30-21(11-9-14(2)10-12-21)27(18)20(29)16-7-5-6-8-17(16)22(23,24)25/h5-8,14-15,18H,4,9-13H2,1-3H3,(H,26,28)
• InChIKey: OABCUYHNWJZJMU-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

The IUPAC name of N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71955937) is N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCC(C)NC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1ccccc1C(F)(F)F.

What is the InChIKey of N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

The InChIKey is OABCUYHNWJZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O3/c1-4-15(3)26-19(28)18-13-30-21(11-9-14(2)10-12-21)27(18)20(29)16-7-5-6-8-17(16)22(23,24)25/h5-8,14-15,18H,4,9-13H2,1-3H3,(H,26,28).

What are the key properties of N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71955937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).