1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

C105H112F24N6O18 — CID 158252486

About 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate (PubChem CID 158252486) has the molecular formula C105H112F24N6O18 and a molecular weight of 2202.03 g/mol. Its IUPAC name is 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate.

Molecular Properties

• Compound Name: 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
• PubChem CID: 158252486
• Molecular Formula: C105H112F24N6O18
• Molecular Weight: 2202.03 g/mol
• Exact Mass: 2200.76
• IUPAC Name: 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CNC(=O)C1(N)CC(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.C[C@@H](OCC1(c2ccccc2)CC(N)(C(=O)O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OCC1(c2ccccc2)CC(NC(=O)OC(C)(C)C)(C(=O)O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OCC1(c2ccccc2)CC2(C1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C27H29F6NO5.C23H20F6N2O3.C23H24F6N2O2.C22H21F6NO3.C10H18O5/c1-16(17-10-19(26(28,29)30)12-20(11-17)27(31,32)33)38-15-24(18-8-6-5-7-9-18)13-25(14-24,21(35)36)34-22(37)39-23(2,3)4;1-13(14-7-16(22(24,25)26)9-17(8-14)23(27,28)29)34-12-20(15-5-3-2-4-6-15)10-21(11-20)18(32)30-19(33)31-21;1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2;1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(29,11-19)18(30)31;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h5-12,16H,13-15H2,1-4H3,(H,34,37)(H,35,36);2-9,13H,10-12H2,1H3,(H2,30,31,32,33);3-10,14H,11-13,30H2,1-2H3,(H,31,32);2-9,13H,10-12,29H2,1H3,(H,30,31);1-6H3/t16-,24?,25?;13-,20?,21?;14-,20?,21?;13-,19?,20?;/m1111./s1
• InChIKey: GGWRMLONUATXRH-PFHDTOEFSA-N
• XLogP: 25.16
• TPSA: 351.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.03
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?

The IUPAC name of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate (CID 158252486) is 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate.

What is the SMILES notation for 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?

The canonical SMILES for 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CNC(=O)C1(N)CC(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.C[C@@H](OCC1(c2ccccc2)CC(N)(C(=O)O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OCC1(c2ccccc2)CC(NC(=O)OC(C)(C)C)(C(=O)O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OCC1(c2ccccc2)CC2(C1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?

The InChIKey is GGWRMLONUATXRH-PFHDTOEFSA-N. The full InChI is InChI=1S/C27H29F6NO5.C23H20F6N2O3.C23H24F6N2O2.C22H21F6NO3.C10H18O5/c1-16(17-10-19(26(28,29)30)12-20(11-17)27(31,32)33)38-15-24(18-8-6-5-7-9-18)13-25(14-24,21(35)36)34-22(37)39-23(2,3)4;1-13(14-7-16(22(24,25)26)9-17(8-14)23(27,28)29)34-12-20(15-5-3-2-4-6-15)10-21(11-20)18(32)30-19(33)31-21;1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2;1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(29,11-19)18(30)31;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h5-12,16H,13-15H2,1-4H3,(H,34,37)(H,35,36);2-9,13H,10-12H2,1H3,(H2,30,31,32,33);3-10,14H,11-13,30H2,1-2H3,(H,31,32);2-9,13H,10-12,29H2,1H3,(H,30,31);1-6H3/t16-,24?,25?;13-,20?,21?;14-,20?,21?;13-,19?,20?;/m1111./s1.

What are the key properties of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?

1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate has a molecular weight of 2202.03 g/mol, XLogP of 25.16, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-3-phenylcyclobutane-1-carboxamide;1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxylic acid;3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid;2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate is sourced from PubChem (CID 158252486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).