methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate

C51H70F6N6O10 — CID 158428518

About methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate

methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate (PubChem CID 158428518) has the molecular formula C51H70F6N6O10 and a molecular weight of 1041.14 g/mol. Its IUPAC name is methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate
• PubChem CID: 158428518
• Molecular Formula: C51H70F6N6O10
• Molecular Weight: 1041.14 g/mol
• Exact Mass: 1040.51
• IUPAC Name: methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate
• SMILES: COC(=O)N(C)CCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.COC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21
• InChI: InChI=1S/C26H36F3N3O5.C25H34F3N3O5/c1-16(2)32(17-10-8-7-9-11-17)22(33)18-14-20-21(15-19(18)26(27,28)29)37-25(3,4)23(34)31(20)13-12-30(5)24(35)36-6;1-15(2)31(16-9-7-6-8-10-16)21(32)17-13-19-20(14-18(17)25(26,27)28)36-24(3,4)22(33)30(19)12-11-29-23(34)35-5/h14-17H,7-13H2,1-6H3;13-16H,6-12H2,1-5H3,(H,29,34)
• InChIKey: HBIZOHCTVXFLPL-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 167.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.14
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate?

The IUPAC name of methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate (CID 158428518) is methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate.

What is the SMILES notation for methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate?

The canonical SMILES for methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate is COC(=O)N(C)CCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.COC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.

What is the InChIKey of methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate?

The InChIKey is HBIZOHCTVXFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F3N3O5.C25H34F3N3O5/c1-16(2)32(17-10-8-7-9-11-17)22(33)18-14-20-21(15-19(18)26(27,28)29)37-25(3,4)23(34)31(20)13-12-30(5)24(35)36-6;1-15(2)31(16-9-7-6-8-10-16)21(32)17-13-19-20(14-18(17)25(26,27)28)36-24(3,4)22(33)30(19)12-11-29-23(34)35-5/h14-17H,7-13H2,1-6H3;13-16H,6-12H2,1-5H3,(H,29,34).

What are the key properties of methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate?

methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate has a molecular weight of 1041.14 g/mol, XLogP of 9.84, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;methyl N-[2-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 158428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).