7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C129H158F4N8O8 — CID 159834495

About 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 159834495) has the molecular formula C129H158F4N8O8 and a molecular weight of 2024.72 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

• Compound Name: 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
• PubChem CID: 159834495
• Molecular Formula: C129H158F4N8O8
• Molecular Weight: 2024.72 g/mol
• Exact Mass: 2023.21
• IUPAC Name: 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
• SMILES: CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCc3ccccc3)cc2)CC1.CCCC1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)c2ccc(-c3ccc(C4CCC(CC)CC4)cc3)cc2O1.CCCCCCCNC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21
• InChI: InChI=1S/C33H36F4N2O2.C33H40N2O2.C32H38N2O2.C31H44N2O2/c1-3-5-27-20-39(32(40)38-29-16-15-26(34)19-28(29)33(35,36)37)30-17-14-25(18-31(30)41-27)24-12-10-23(11-13-24)22-8-6-21(4-2)7-9-22;1-3-25-11-13-27(14-12-25)28-15-17-29(18-16-28)30-19-20-31-32(22-30)37-24(2)23-35(31)33(36)34-21-7-10-26-8-5-4-6-9-26;1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-29)36-23(2)22-34(30)32(35)33-20-19-25-7-5-4-6-8-25;1-4-6-7-8-9-20-32-31(34)33-22-23(3)35-30-21-28(18-19-29(30)33)27-16-14-26(15-17-27)25-12-10-24(5-2)11-13-25/h10-19,21-22,27H,3-9,20H2,1-2H3,(H,38,40);4-6,8-9,15-20,22,24-25,27H,3,7,10-14,21,23H2,1-2H3,(H,34,36);4-8,13-18,21,23-24,26H,3,9-12,19-20,22H2,1-2H3,(H,33,35);14-19,21,23-25H,4-13,20,22H2,1-3H3,(H,32,34)
• InChIKey: NNWRAGUYJWLFRP-UHFFFAOYSA-N
• XLogP: 33.64
• TPSA: 166.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2024.72
LogP ≤ 5	33.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 159834495) is 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCc3ccccc3)cc2)CC1.CCCC1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)c2ccc(-c3ccc(C4CCC(CC)CC4)cc3)cc2O1.CCCCCCCNC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21.

What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The InChIKey is NNWRAGUYJWLFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F4N2O2.C33H40N2O2.C32H38N2O2.C31H44N2O2/c1-3-5-27-20-39(32(40)38-29-16-15-26(34)19-28(29)33(35,36)37)30-17-14-25(18-31(30)41-27)24-12-10-23(11-13-24)22-8-6-21(4-2)7-9-22;1-3-25-11-13-27(14-12-25)28-15-17-29(18-16-28)30-19-20-31-32(22-30)37-24(2)23-35(31)33(36)34-21-7-10-26-8-5-4-6-9-26;1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-29)36-23(2)22-34(30)32(35)33-20-19-25-7-5-4-6-8-25;1-4-6-7-8-9-20-32-31(34)33-22-23(3)35-30-21-28(18-19-29(30)33)27-16-14-26(15-17-27)25-12-10-24(5-2)11-13-25/h10-19,21-22,27H,3-9,20H2,1-2H3,(H,38,40);4-6,8-9,15-20,22,24-25,27H,3,7,10-14,21,23H2,1-2H3,(H,34,36);4-8,13-18,21,23-24,26H,3,9-12,19-20,22H2,1-2H3,(H,33,35);14-19,21,23-25H,4-13,20,22H2,1-3H3,(H,32,34).

What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 2024.72 g/mol, XLogP of 33.64, 28 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 159834495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).