N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide

C114H151Cl2F3N14O9 — CID 173160930

About N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide

N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide (PubChem CID 173160930) has the molecular formula C114H151Cl2F3N14O9 and a molecular weight of 1989.45 g/mol. Its IUPAC name is N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide.

Molecular Properties

• Compound Name: N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide
• PubChem CID: 173160930
• Molecular Formula: C114H151Cl2F3N14O9
• Molecular Weight: 1989.45 g/mol
• Exact Mass: 1987.11
• IUPAC Name: N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide
• SMILES: CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NCc2cc(F)cc(F)c2)CC1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N(C)Cc3ccccc3)CC2)c1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3ccc(F)cc3)CC2)c1
• InChI: InChI=1S/C32H42ClN5O3.C28H38FN3O2.C28H39N3O2.C26H32ClF2N3O2/c1-36(2)31(22-24-7-6-8-25(33)21-24)15-13-26(14-16-31)35-28(39)11-12-29(40)37-19-17-32(18-20-37)30(41)34-23-38(32)27-9-4-3-5-10-27;1-21-5-4-6-23(19-21)20-28(32(2)3)16-13-25(14-17-28)31-27(34)12-11-26(33)30-18-15-22-7-9-24(29)10-8-22;1-22-9-8-12-24(19-22)20-28(30(2)3)17-15-25(16-18-28)29-26(32)13-14-27(33)31(4)21-23-10-6-5-7-11-23;1-32(2)26(16-18-4-3-5-20(27)12-18)10-8-23(9-11-26)31-25(34)7-6-24(33)30-17-19-13-21(28)15-22(29)14-19/h3-10,21,26H,11-20,22-23H2,1-2H3,(H,34,41)(H,35,39);4-10,19,25H,11-18,20H2,1-3H3,(H,30,33)(H,31,34);5-12,19,25H,13-18,20-21H2,1-4H3,(H,29,32);3-5,12-15,23H,6-11,16-17H2,1-2H3,(H,30,33)(H,31,34)
• InChIKey: CYBRDIFCAQHUNE-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 260.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 36
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1989.45
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide?

The IUPAC name of N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide (CID 173160930) is N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide.

What is the SMILES notation for N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide?

The canonical SMILES for N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide is CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NCc2cc(F)cc(F)c2)CC1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N(C)Cc3ccccc3)CC2)c1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3ccc(F)cc3)CC2)c1.

What is the InChIKey of N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide?

The InChIKey is CYBRDIFCAQHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42ClN5O3.C28H38FN3O2.C28H39N3O2.C26H32ClF2N3O2/c1-36(2)31(22-24-7-6-8-25(33)21-24)15-13-26(14-16-31)35-28(39)11-12-29(40)37-19-17-32(18-20-37)30(41)34-23-38(32)27-9-4-3-5-10-27;1-21-5-4-6-23(19-21)20-28(32(2)3)16-13-25(14-17-28)31-27(34)12-11-26(33)30-18-15-22-7-9-24(29)10-8-22;1-22-9-8-12-24(19-22)20-28(30(2)3)17-15-25(16-18-28)29-26(32)13-14-27(33)31(4)21-23-10-6-5-7-11-23;1-32(2)26(16-18-4-3-5-20(27)12-18)10-8-23(9-11-26)31-25(34)7-6-24(33)30-17-19-13-21(28)15-22(29)14-19/h3-10,21,26H,11-20,22-23H2,1-2H3,(H,34,41)(H,35,39);4-10,19,25H,11-18,20H2,1-3H3,(H,30,33)(H,31,34);5-12,19,25H,13-18,20-21H2,1-4H3,(H,29,32);3-5,12-15,23H,6-11,16-17H2,1-2H3,(H,30,33)(H,31,34).

What are the key properties of N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide?

N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide has a molecular weight of 1989.45 g/mol, XLogP of 17.10, 36 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide is sourced from PubChem (CID 173160930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).