N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate

C140H173F15N12O19 — CID 161060640

About N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate

N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate (PubChem CID 161060640) has the molecular formula C140H173F15N12O19 and a molecular weight of 2612.96 g/mol. Its IUPAC name is N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate
• PubChem CID: 161060640
• Molecular Formula: C140H173F15N12O19
• Molecular Weight: 2612.96 g/mol
• Exact Mass: 2611.27
• IUPAC Name: N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate
• SMILES: C.C.C.CC(=O)NCC1(c2ccccc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.COC(=O)NCC1(c2ccccc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCOC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CNC(=O)CO)(c3ccccc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F
• InChI: InChI=1S/2C28H33F3N2O4.C28H33F3N2O3.C27H32F3N3O4.C26H30F3N3O4.3CH4/c1-26(36,28(29,30)31)20-10-8-19(9-11-20)24(34)33(22-12-13-22)23-14-16-27(17-15-23,18-32-25(35)37-2)21-6-4-3-5-7-21;1-26(37,28(29,30)31)20-9-7-19(8-10-20)25(36)33(22-11-12-22)23-13-15-27(16-14-23,18-32-24(35)17-34)21-5-3-2-4-6-21;1-19(34)32-18-27(22-6-4-3-5-7-22)16-14-24(15-17-27)33(23-12-13-23)25(35)20-8-10-21(11-9-20)26(2,36)28(29,30)31;1-25(36,27(28,29)30)19-7-5-18(6-8-19)23(34)33(20-9-10-20)21-11-13-26(14-12-21,15-17-37-24(31)35)22-4-2-3-16-32-22;1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21;;;/h3-11,22-23,36H,12-18H2,1-2H3,(H,32,35);2-10,22-23,34,37H,11-18H2,1H3,(H,32,35);3-11,23-24,36H,12-18H2,1-2H3,(H,32,34);2-8,16,20-21,36H,9-15,17H2,1H3,(H2,31,35);2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34);3*1H4/t2*23?,26-,27?;24?,26-,27?;21?,25-,26?;20?,24-,25?;;;/m00000.../s1
• InChIKey: UDIPYWQZCGLAHB-LWGIKRAVSA-N
• XLogP: 25.59
• TPSA: 449.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2612.96
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate?

The IUPAC name of N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate (CID 161060640) is N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate.

What is the SMILES notation for N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate?

The canonical SMILES for N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate is C.C.C.CC(=O)NCC1(c2ccccc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.COC(=O)NCC1(c2ccccc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCOC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CNC(=O)CO)(c3ccccc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F.

What is the InChIKey of N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate?

The InChIKey is UDIPYWQZCGLAHB-LWGIKRAVSA-N. The full InChI is InChI=1S/2C28H33F3N2O4.C28H33F3N2O3.C27H32F3N3O4.C26H30F3N3O4.3CH4/c1-26(36,28(29,30)31)20-10-8-19(9-11-20)24(34)33(22-12-13-22)23-14-16-27(17-15-23,18-32-25(35)37-2)21-6-4-3-5-7-21;1-26(37,28(29,30)31)20-9-7-19(8-10-20)25(36)33(22-11-12-22)23-13-15-27(16-14-23,18-32-24(35)17-34)21-5-3-2-4-6-21;1-19(34)32-18-27(22-6-4-3-5-7-22)16-14-24(15-17-27)33(23-12-13-23)25(35)20-8-10-21(11-9-20)26(2,36)28(29,30)31;1-25(36,27(28,29)30)19-7-5-18(6-8-19)23(34)33(20-9-10-20)21-11-13-26(14-12-21,15-17-37-24(31)35)22-4-2-3-16-32-22;1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21;;;/h3-11,22-23,36H,12-18H2,1-2H3,(H,32,35);2-10,22-23,34,37H,11-18H2,1H3,(H,32,35);3-11,23-24,36H,12-18H2,1-2H3,(H,32,34);2-8,16,20-21,36H,9-15,17H2,1H3,(H2,31,35);2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34);3*1H4/t2*23?,26-,27?;24?,26-,27?;21?,25-,26?;20?,24-,25?;;;/m00000.../s1.

What are the key properties of N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate?

N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate has a molecular weight of 2612.96 g/mol, XLogP of 25.59, 37 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-[[(2-hydroxyacetyl)amino]methyl]-4-phenylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;2-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate;methane;methyl N-[[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl]carbamate is sourced from PubChem (CID 161060640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).