2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate

C103H135F7N12O20 — CID 157493913

About 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate

2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate (PubChem CID 157493913) has the molecular formula C103H135F7N12O20 and a molecular weight of 1994.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate
• PubChem CID: 157493913
• Molecular Formula: C103H135F7N12O20
• Molecular Weight: 1994.26 g/mol
• Exact Mass: 1992.98
• IUPAC Name: 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate
• SMILES: CCC(=O)NCCN1C(=O)C(C)(CC)Oc2cc(C(F)(F)F)c(C)cc21.CCC(=O)NCCN1C(=O)C(C)(CC)Oc2cc(C)c(C)cc21.CCC1(C)Oc2cc(C)c(C)cc2N(CCNC(=O)OC)C1=O.COC(=O)NCCN1C(=O)C2(CCC2)Oc2cc(C)c(C)cc21.Cc1cc2c(cc1C)N(CCNC(=O)C(F)F)C(=O)C(C)(C)O2.Cc1cc2c(cc1C)N(CCNC(=O)C(F)F)C(=O)C1(CCC1)O2
• InChI: InChI=1S/C18H23F3N2O3.C18H26N2O3.C17H20F2N2O3.C17H22N2O4.C17H24N2O4.C16H20F2N2O3/c1-5-15(24)22-7-8-23-13-9-11(3)12(18(19,20)21)10-14(13)26-17(4,6-2)16(23)25;1-6-16(21)19-8-9-20-14-10-12(3)13(4)11-15(14)23-18(5,7-2)17(20)22;1-10-8-12-13(9-11(10)2)24-17(4-3-5-17)16(23)21(12)7-6-20-15(22)14(18)19;1-11-9-13-14(10-12(11)2)23-17(5-4-6-17)15(20)19(13)8-7-18-16(21)22-3;1-6-17(4)15(20)19(8-7-18-16(21)22-5)13-9-11(2)12(3)10-14(13)23-17;1-9-7-11-12(8-10(9)2)23-16(3,4)15(22)20(11)6-5-19-14(21)13(17)18/h9-10H,5-8H2,1-4H3,(H,22,24);10-11H,6-9H2,1-5H3,(H,19,21);8-9,14H,3-7H2,1-2H3,(H,20,22);9-10H,4-8H2,1-3H3,(H,18,21);9-10H,6-8H2,1-5H3,(H,18,21);7-8,13H,5-6H2,1-4H3,(H,19,21)
• InChIKey: BXPFNNIVFMEZPK-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 370.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.26
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate?

The IUPAC name of 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate (CID 157493913) is 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate.

What is the SMILES notation for 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate?

The canonical SMILES for 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate is CCC(=O)NCCN1C(=O)C(C)(CC)Oc2cc(C(F)(F)F)c(C)cc21.CCC(=O)NCCN1C(=O)C(C)(CC)Oc2cc(C)c(C)cc21.CCC1(C)Oc2cc(C)c(C)cc2N(CCNC(=O)OC)C1=O.COC(=O)NCCN1C(=O)C2(CCC2)Oc2cc(C)c(C)cc21.Cc1cc2c(cc1C)N(CCNC(=O)C(F)F)C(=O)C(C)(C)O2.Cc1cc2c(cc1C)N(CCNC(=O)C(F)F)C(=O)C1(CCC1)O2.

What is the InChIKey of 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate?

The InChIKey is BXPFNNIVFMEZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3.C18H26N2O3.C17H20F2N2O3.C17H22N2O4.C17H24N2O4.C16H20F2N2O3/c1-5-15(24)22-7-8-23-13-9-11(3)12(18(19,20)21)10-14(13)26-17(4,6-2)16(23)25;1-6-16(21)19-8-9-20-14-10-12(3)13(4)11-15(14)23-18(5,7-2)17(20)22;1-10-8-12-13(9-11(10)2)24-17(4-3-5-17)16(23)21(12)7-6-20-15(22)14(18)19;1-11-9-13-14(10-12(11)2)23-17(5-4-6-17)15(20)19(13)8-7-18-16(21)22-3;1-6-17(4)15(20)19(8-7-18-16(21)22-5)13-9-11(2)12(3)10-14(13)23-17;1-9-7-11-12(8-10(9)2)23-16(3,4)15(22)20(11)6-5-19-14(21)13(17)18/h9-10H,5-8H2,1-4H3,(H,22,24);10-11H,6-9H2,1-5H3,(H,19,21);8-9,14H,3-7H2,1-2H3,(H,20,22);9-10H,4-8H2,1-3H3,(H,18,21);9-10H,6-8H2,1-5H3,(H,18,21);7-8,13H,5-6H2,1-4H3,(H,19,21).

What are the key properties of 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate?

2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate has a molecular weight of 1994.26 g/mol, XLogP of 15.54, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[2-(2,2,6,7-tetramethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide;N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]-2,2-difluoroacetamide;N-[2-[2-ethyl-2,6-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]propanamide;N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]propanamide;methyl N-[2-(6,7-dimethyl-3-oxospiro[1,4-benzoxazine-2,1'-cyclobutane]-4-yl)ethyl]carbamate;methyl N-[2-(2-ethyl-2,6,7-trimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl]carbamate is sourced from PubChem (CID 157493913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).