4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate
C222H301N21O18 — CID 163554297
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CCCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.CCCCOC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CCCCOC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.COC(=O)C1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)n3)CC2)c2cccc(-c3coc(C4CC4)n3)c2)CC1.COc1ccc(C2CCC(CN(C(=O)C3CCC(NC(=O)C4CC(C)C4)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C
InChIInChI=1S/C40H54N4O3.C38H53N3O3.C37H52N4O3.C37H51N3O2.C35H48N4O2.C35H43N3O5/c1-26(2)44-25-35(23-41-44)32-7-6-8-37(22-32)43(24-29-9-11-30(12-10-29)33-15-18-38(47-5)28(4)21-33)40(46)31-13-16-36(17-14-31)42-39(45)34-19-27(3)20-34;1-6-7-21-44-36-18-15-31(16-19-36)38(42)40(35-10-8-9-32(23-35)34-24-39-41(26-34)27(2)3)25-29-11-13-30(14-12-29)33-17-20-37(43-5)28(4)22-33;1-6-7-20-44-34-15-12-30(13-16-34)37(42)40(36-22-32(18-19-38-36)33-23-39-41(25-33)26(2)3)24-28-8-10-29(11-9-28)31-14-17-35(43-5)27(4)21-31;1-6-8-28-11-17-31(18-12-28)37(41)39(35-10-7-9-32(22-35)34-23-38-40(25-34)26(2)3)24-29-13-15-30(16-14-29)33-19-20-36(42-5)27(4)21-33;1-6-26-7-13-29(14-8-26)35(40)38(34-20-31(17-18-36-34)32-21-37-39(23-32)24(2)3)22-27-9-11-28(12-10-27)30-15-16-33(41-5)25(4)19-30;1-22-32(41-2)18-17-30(36-22)24-9-7-23(8-10-24)20-38(34(39)26-13-15-27(16-14-26)35(40)42-3)29-6-4-5-28(19-29)31-21-43-33(37-31)25-11-12-25/h6-8,15,18,21-23,25-27,29-31,34,36H,9-14,16-17,19-20,24H2,1-5H3,(H,42,45);8-10,17,20,22-24,26-27,29-31,36H,6-7,11-16,18-19,21,25H2,1-5H3;14,17-19,21-23,25-26,28-30,34H,6-13,15-16,20,24H2,1-5H3;7,9-10,19-23,25-26,28-31H,6,8,11-18,24H2,1-5H3;15-21,23-24,26-29H,6-14,22H2,1-5H3;4-6,17-19,21,23-27H,7-16,20H2,1-3H3
InChIKeyFLSBJIHWLHHQDA-UHFFFAOYSA-N
MW3551.98 g/mol
LogP51.08
Rot. Bonds62
About 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate
4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 163554297) has the molecular formula C222H301N21O18 and a molecular weight of 3551.98 g/mol. Its IUPAC name is 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate.
Molecular Properties
| Compound Name | 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate |
|---|---|
| PubChem CID | 163554297 |
| Molecular Formula | C222H301N21O18 |
| Molecular Weight | 3551.98 g/mol |
| Exact Mass | 3549.33 |
| IUPAC Name | 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate |
| SMILES | CCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CCCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.CCCCOC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CCCCOC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.COC(=O)C1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)n3)CC2)c2cccc(-c3coc(C4CC4)n3)c2)CC1.COc1ccc(C2CCC(CN(C(=O)C3CCC(NC(=O)C4CC(C)C4)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C |
| InChI | InChI=1S/C40H54N4O3.C38H53N3O3.C37H52N4O3.C37H51N3O2.C35H48N4O2.C35H43N3O5/c1-26(2)44-25-35(23-41-44)32-7-6-8-37(22-32)43(24-29-9-11-30(12-10-29)33-15-18-38(47-5)28(4)21-33)40(46)31-13-16-36(17-14-31)42-39(45)34-19-27(3)20-34;1-6-7-21-44-36-18-15-31(16-19-36)38(42)40(35-10-8-9-32(23-35)34-24-39-41(26-34)27(2)3)25-29-11-13-30(14-12-29)33-17-20-37(43-5)28(4)22-33;1-6-7-20-44-34-15-12-30(13-16-34)37(42)40(36-22-32(18-19-38-36)33-23-39-41(25-33)26(2)3)24-28-8-10-29(11-9-28)31-14-17-35(43-5)27(4)21-31;1-6-8-28-11-17-31(18-12-28)37(41)39(35-10-7-9-32(22-35)34-23-38-40(25-34)26(2)3)24-29-13-15-30(16-14-29)33-19-20-36(42-5)27(4)21-33;1-6-26-7-13-29(14-8-26)35(40)38(34-20-31(17-18-36-34)32-21-37-39(23-32)24(2)3)22-27-9-11-28(12-10-27)30-15-16-33(41-5)25(4)19-30;1-22-32(41-2)18-17-30(36-22)24-9-7-23(8-10-24)20-38(34(39)26-13-15-27(16-14-26)35(40)42-3)29-6-4-5-28(19-29)31-21-43-33(37-31)25-11-12-25/h6-8,15,18,21-23,25-27,29-31,34,36H,9-14,16-17,19-20,24H2,1-5H3,(H,42,45);8-10,17,20,22-24,26-27,29-31,36H,6-7,11-16,18-19,21,25H2,1-5H3;14,17-19,21-23,25-26,28-30,34H,6-13,15-16,20,24H2,1-5H3;7,9-10,19-23,25-26,28-31H,6,8,11-18,24H2,1-5H3;15-21,23-24,26-29H,6-14,22H2,1-5H3;4-6,17-19,21,23-27H,7-16,20H2,1-3H3 |
| InChIKey | FLSBJIHWLHHQDA-UHFFFAOYSA-N |
| XLogP | 51.08 |
| TPSA | 404.90 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 261 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3551.98 |
| LogP ≤ 5 | 51.08 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 32 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate (CID 163554297) is 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate is CCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CCCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.CCCCOC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cc(-c3cnn(C(C)C)c3)ccn2)CC1.CCCCOC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C(C)C)c3)c2)CC1.COC(=O)C1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)n3)CC2)c2cccc(-c3coc(C4CC4)n3)c2)CC1.COc1ccc(C2CCC(CN(C(=O)C3CCC(NC(=O)C4CC(C)C4)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C.
What is the InChIKey of 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is FLSBJIHWLHHQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54N4O3.C38H53N3O3.C37H52N4O3.C37H51N3O2.C35H48N4O2.C35H43N3O5/c1-26(2)44-25-35(23-41-44)32-7-6-8-37(22-32)43(24-29-9-11-30(12-10-29)33-15-18-38(47-5)28(4)21-33)40(46)31-13-16-36(17-14-31)42-39(45)34-19-27(3)20-34;1-6-7-21-44-36-18-15-31(16-19-36)38(42)40(35-10-8-9-32(23-35)34-24-39-41(26-34)27(2)3)25-29-11-13-30(14-12-29)33-17-20-37(43-5)28(4)22-33;1-6-7-20-44-34-15-12-30(13-16-34)37(42)40(36-22-32(18-19-38-36)33-23-39-41(25-33)26(2)3)24-28-8-10-29(11-9-28)31-14-17-35(43-5)27(4)21-31;1-6-8-28-11-17-31(18-12-28)37(41)39(35-10-7-9-32(22-35)34-23-38-40(25-34)26(2)3)24-29-13-15-30(16-14-29)33-19-20-36(42-5)27(4)21-33;1-6-26-7-13-29(14-8-26)35(40)38(34-20-31(17-18-36-34)32-21-37-39(23-32)24(2)3)22-27-9-11-28(12-10-27)30-15-16-33(41-5)25(4)19-30;1-22-32(41-2)18-17-30(36-22)24-9-7-23(8-10-24)20-38(34(39)26-13-15-27(16-14-26)35(40)42-3)29-6-4-5-28(19-29)31-21-43-33(37-31)25-11-12-25/h6-8,15,18,21-23,25-27,29-31,34,36H,9-14,16-17,19-20,24H2,1-5H3,(H,42,45);8-10,17,20,22-24,26-27,29-31,36H,6-7,11-16,18-19,21,25H2,1-5H3;14,17-19,21-23,25-26,28-30,34H,6-13,15-16,20,24H2,1-5H3;7,9-10,19-23,25-26,28-31H,6,8,11-18,24H2,1-5H3;15-21,23-24,26-29H,6-14,22H2,1-5H3;4-6,17-19,21,23-27H,7-16,20H2,1-3H3.
What are the key properties of 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate?
4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 3551.98 g/mol, XLogP of 51.08, 62 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-butoxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;4-ethyl-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[(3-methylcyclobutanecarbonyl)amino]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide;N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-propylcyclohexane-1-carboxamide;methyl 4-[[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 163554297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 163554297 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.