3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide

C126H142F12N16O13 — CID 160922991

IUPAC3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
SMILESCC(C)(C#N)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)ccn1.CC(C)(C#N)c1ccc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc1.CC(C)(C(N)=O)c1cccc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3cccc(C(F)(F)F)c3)CCOCC2)ccn1.COc1ccc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc1C(C)(C)C#N
InChIInChI=1S/C27H30F3N3O3.C26H30F3N3O3.C25H27F3N4O2.C25H29N3O2.C23H26F3N3O3/c1-25(2,17-31)21-15-19(10-11-22(21)36-3)23(34)33-26(12-5-4-6-13-26)24(35)32-16-18-8-7-9-20(14-18)27(28,29)30;1-24(2,22(30)34)19-10-7-9-18(15-19)21(33)32-25(12-4-3-5-13-25)23(35)31-16-17-8-6-11-20(14-17)26(27,28)29;1-23(2,16-29)20-14-18(9-12-30-20)21(33)32-24(10-4-3-5-11-24)22(34)31-15-17-7-6-8-19(13-17)25(26,27)28;1-24(2,18-26)21-13-11-20(12-14-21)22(29)28-25(15-7-4-8-16-25)23(30)27-17-19-9-5-3-6-10-19;1-21(2,3)18-13-15(7-10-27-18)19(30)29-22(8-11-32-12-9-22)20(31)28-17-6-4-5-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,32,35)(H,33,34);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,30,34)(H,31,35)(H,32,33);6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,31,34)(H,32,33);3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,27,30)(H,28,29);4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,28,31)(H,29,30)
InChIKeySSGSNVZDXRBWAU-UHFFFAOYSA-N
MW2316.60 g/mol
LogP22.68
Rot. Bonds30

About 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide

3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide (PubChem CID 160922991) has the molecular formula C126H142F12N16O13 and a molecular weight of 2316.60 g/mol. Its IUPAC name is 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
PubChem CID160922991
Molecular FormulaC126H142F12N16O13
Molecular Weight2316.60 g/mol
Exact Mass2315.08
IUPAC Name3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
SMILESCC(C)(C#N)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)ccn1.CC(C)(C#N)c1ccc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc1.CC(C)(C(N)=O)c1cccc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3cccc(C(F)(F)F)c3)CCOCC2)ccn1.COc1ccc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc1C(C)(C)C#N
InChIInChI=1S/C27H30F3N3O3.C26H30F3N3O3.C25H27F3N4O2.C25H29N3O2.C23H26F3N3O3/c1-25(2,17-31)21-15-19(10-11-22(21)36-3)23(34)33-26(12-5-4-6-13-26)24(35)32-16-18-8-7-9-20(14-18)27(28,29)30;1-24(2,22(30)34)19-10-7-9-18(15-19)21(33)32-25(12-4-3-5-13-25)23(35)31-16-17-8-6-11-20(14-17)26(27,28)29;1-23(2,16-29)20-14-18(9-12-30-20)21(33)32-24(10-4-3-5-11-24)22(34)31-15-17-7-6-8-19(13-17)25(26,27)28;1-24(2,18-26)21-13-11-20(12-14-21)22(29)28-25(15-7-4-8-16-25)23(30)27-17-19-9-5-3-6-10-19;1-21(2,3)18-13-15(7-10-27-18)19(30)29-22(8-11-32-12-9-22)20(31)28-17-6-4-5-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,32,35)(H,33,34);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,30,34)(H,31,35)(H,32,33);6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,31,34)(H,32,33);3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,27,30)(H,28,29);4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,28,31)(H,29,30)
InChIKeySSGSNVZDXRBWAU-UHFFFAOYSA-N
XLogP22.68
TPSA449.70 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002316.60
LogP ≤ 522.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide (CID 160922991) is 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide is CC(C)(C#N)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)ccn1.CC(C)(C#N)c1ccc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc1.CC(C)(C(N)=O)c1cccc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3cccc(C(F)(F)F)c3)CCOCC2)ccn1.COc1ccc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc1C(C)(C)C#N.
What is the InChIKey of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide?
The InChIKey is SSGSNVZDXRBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O3.C26H30F3N3O3.C25H27F3N4O2.C25H29N3O2.C23H26F3N3O3/c1-25(2,17-31)21-15-19(10-11-22(21)36-3)23(34)33-26(12-5-4-6-13-26)24(35)32-16-18-8-7-9-20(14-18)27(28,29)30;1-24(2,22(30)34)19-10-7-9-18(15-19)21(33)32-25(12-4-3-5-13-25)23(35)31-16-17-8-6-11-20(14-17)26(27,28)29;1-23(2,16-29)20-14-18(9-12-30-20)21(33)32-24(10-4-3-5-11-24)22(34)31-15-17-7-6-8-19(13-17)25(26,27)28;1-24(2,18-26)21-13-11-20(12-14-21)22(29)28-25(15-7-4-8-16-25)23(30)27-17-19-9-5-3-6-10-19;1-21(2,3)18-13-15(7-10-27-18)19(30)29-22(8-11-32-12-9-22)20(31)28-17-6-4-5-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,32,35)(H,33,34);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,30,34)(H,31,35)(H,32,33);6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,31,34)(H,32,33);3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,27,30)(H,28,29);4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide?
3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide has a molecular weight of 2316.60 g/mol, XLogP of 22.68, 30 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide;2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 160922991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).