N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate

C134H155F17N10O18 — CID 159824946

About N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate

N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate (PubChem CID 159824946) has the molecular formula C134H155F17N10O18 and a molecular weight of 2516.73 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate.

Molecular Properties

• Compound Name: N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate
• PubChem CID: 159824946
• Molecular Formula: C134H155F17N10O18
• Molecular Weight: 2516.73 g/mol
• Exact Mass: 2515.12
• IUPAC Name: N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate
• SMILES: CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(COC(N)=O)(c2ccccc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCC(N)=O)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCO)(c3ccccn3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccc3F)CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C28H32F4N2O3.C27H30F4N2O4.C27H31F3N2O4.C26H31F3N2O4.C26H31F3N2O3/c1-26(37,28(30,31)32)19-4-2-18(3-5-19)25(36)34(22-10-11-22)23-12-15-27(16-13-23,17-14-24(33)35)20-6-8-21(29)9-7-20;1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28;1-25(35,27(28,29)30)19-9-7-18(8-10-19)23(33)32(21-11-12-21)22-13-15-26(16-14-22,17-36-24(31)34)20-5-3-2-4-6-20;1-3-31(22(32)18-9-11-19(12-10-18)24(2,34)26(27,28)29)21-13-15-25(16-14-21,17-35-23(30)33)20-7-5-4-6-8-20;1-24(34,26(27,28)29)19-7-5-18(6-8-19)23(33)31(20-9-10-20)21-11-13-25(14-12-21,15-17-32)22-4-2-3-16-30-22/h2-9,22-23,37H,10-17H2,1H3,(H2,33,35);2-9,19-20,36H,10-16H2,1H3,(H2,32,35);2-10,21-22,35H,11-17H2,1H3,(H2,31,34);4-12,21,34H,3,13-17H2,1-2H3,(H2,30,33);2-8,16,20-21,32,34H,9-15,17H2,1H3/t23?,26-,27?;20?,25-,26?;22?,25-,26?;2*21?,24-,25?/m00000/s1
• InChIKey: NMSHMECLHUYUDE-XUCDCIENSA-N
• XLogP: 25.17
• TPSA: 435.87 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2516.73
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate?

The IUPAC name of N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate (CID 159824946) is N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate.

What is the SMILES notation for N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate?

The canonical SMILES for N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(COC(N)=O)(c2ccccc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCC(N)=O)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCO)(c3ccccn3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccc3F)CC2)cc1)C(F)(F)F.

What is the InChIKey of N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate?

The InChIKey is NMSHMECLHUYUDE-XUCDCIENSA-N. The full InChI is InChI=1S/C28H32F4N2O3.C27H30F4N2O4.C27H31F3N2O4.C26H31F3N2O4.C26H31F3N2O3/c1-26(37,28(30,31)32)19-4-2-18(3-5-19)25(36)34(22-10-11-22)23-12-15-27(16-13-23,17-14-24(33)35)20-6-8-21(29)9-7-20;1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28;1-25(35,27(28,29)30)19-9-7-18(8-10-19)23(33)32(21-11-12-21)22-13-15-26(16-14-22,17-36-24(31)34)20-5-3-2-4-6-20;1-3-31(22(32)18-9-11-19(12-10-18)24(2,34)26(27,28)29)21-13-15-25(16-14-21,17-35-23(30)33)20-7-5-4-6-8-20;1-24(34,26(27,28)29)19-7-5-18(6-8-19)23(33)31(20-9-10-20)21-11-13-25(14-12-21,15-17-32)22-4-2-3-16-30-22/h2-9,22-23,37H,10-17H2,1H3,(H2,33,35);2-9,19-20,36H,10-16H2,1H3,(H2,32,35);2-10,21-22,35H,11-17H2,1H3,(H2,31,34);4-12,21,34H,3,13-17H2,1-2H3,(H2,30,33);2-8,16,20-21,32,34H,9-15,17H2,1H3/t23?,26-,27?;20?,25-,26?;22?,25-,26?;2*21?,24-,25?/m00000/s1.

What are the key properties of N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate?

N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate has a molecular weight of 2516.73 g/mol, XLogP of 25.17, 36 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate;[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate is sourced from PubChem (CID 159824946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).