N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide

C52H69F6N5O7 — CID 157267688

About N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide

N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide (PubChem CID 157267688) has the molecular formula C52H69F6N5O7 and a molecular weight of 990.14 g/mol. Its IUPAC name is N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide
• PubChem CID: 157267688
• Molecular Formula: C52H69F6N5O7
• Molecular Weight: 990.14 g/mol
• Exact Mass: 989.51
• IUPAC Name: N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide
• SMILES: CCC(=O)NCCN1C(=O)C2(CCC2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.CCCN1C(=O)C2(CCC2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21
• InChI: InChI=1S/C27H36F3N3O4.C25H33F3N2O3/c1-4-23(34)31-13-14-32-21-15-19(24(35)33(17(2)3)18-9-6-5-7-10-18)20(27(28,29)30)16-22(21)37-26(25(32)36)11-8-12-26;1-4-13-29-20-14-18(22(31)30(16(2)3)17-9-6-5-7-10-17)19(25(26,27)28)15-21(20)33-24(23(29)32)11-8-12-24/h15-18H,4-14H2,1-3H3,(H,31,34);14-17H,4-13H2,1-3H3
• InChIKey: AYEKAPWNLKAUGW-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 128.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.14
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide?

The IUPAC name of N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide (CID 157267688) is N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide.

What is the SMILES notation for N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide?

The canonical SMILES for N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide is CCC(=O)NCCN1C(=O)C2(CCC2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.CCCN1C(=O)C2(CCC2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.

What is the InChIKey of N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide?

The InChIKey is AYEKAPWNLKAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N3O4.C25H33F3N2O3/c1-4-23(34)31-13-14-32-21-15-19(24(35)33(17(2)3)18-9-6-5-7-10-18)20(27(28,29)30)16-22(21)37-26(25(32)36)11-8-12-26;1-4-13-29-20-14-18(22(31)30(16(2)3)17-9-6-5-7-10-17)19(25(26,27)28)15-21(20)33-24(23(29)32)11-8-12-24/h15-18H,4-14H2,1-3H3,(H,31,34);14-17H,4-13H2,1-3H3.

What are the key properties of N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide?

N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide has a molecular weight of 990.14 g/mol, XLogP of 11.01, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide;N-cyclohexyl-3-oxo-N-propan-2-yl-4-propyl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 157267688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).