1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea

C45H50F3N7O4 — CID 160758866

About 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea

1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea (PubChem CID 160758866) has the molecular formula C45H50F3N7O4 and a molecular weight of 809.93 g/mol. Its IUPAC name is 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea.

Molecular Properties

• Compound Name: 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
• PubChem CID: 160758866
• Molecular Formula: C45H50F3N7O4
• Molecular Weight: 809.93 g/mol
• Exact Mass: 809.39
• IUPAC Name: 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
• SMILES: NCC(=O)c1ccc(CN(C(=O)NC2CCCCC2)c2ccccc2)cc1.O=C(NC1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
• InChI: InChI=1S/C23H23F3N4O2.C22H27N3O2/c24-23(25,26)21-29-28-20(32-21)17-13-11-16(12-14-17)15-30(19-9-5-2-6-10-19)22(31)27-18-7-3-1-4-8-18;23-15-21(26)18-13-11-17(12-14-18)16-25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h2,5-6,9-14,18H,1,3-4,7-8,15H2,(H,27,31);2,5-6,9-14,19H,1,3-4,7-8,15-16,23H2,(H,24,27)
• InChIKey: RXUDQGMORAGZAR-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 146.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.93
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?

The IUPAC name of 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea (CID 160758866) is 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea.

What is the SMILES notation for 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?

The canonical SMILES for 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea is NCC(=O)c1ccc(CN(C(=O)NC2CCCCC2)c2ccccc2)cc1.O=C(NC1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.

What is the InChIKey of 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?

The InChIKey is RXUDQGMORAGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2.C22H27N3O2/c24-23(25,26)21-29-28-20(32-21)17-13-11-16(12-14-17)15-30(19-9-5-2-6-10-19)22(31)27-18-7-3-1-4-8-18;23-15-21(26)18-13-11-17(12-14-18)16-25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h2,5-6,9-14,18H,1,3-4,7-8,15H2,(H,27,31);2,5-6,9-14,19H,1,3-4,7-8,15-16,23H2,(H,24,27).

What are the key properties of 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?

1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea has a molecular weight of 809.93 g/mol, XLogP of 9.68, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea is sourced from PubChem (CID 160758866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).