3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide

C122H175F3N16O10 — CID 157050831

IUPAC3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)(C)NC(=O)C(C)(C)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc(C(C)(C)C(=O)NC(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3ccncc3)CCCCC2)cc(C(C)(C)C)c1.CN(C)c1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)cc1.Cc1cc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)nn1C
InChIInChI=1S/C38H53F3N4O4.C30H44N4O2.C27H41N5O2.C27H37N3O2/c1-33(2,3)44-30(47)35(7,8)27-20-25(21-28(22-27)36(9,10)31(48)45-34(4,5)6)29(46)43-37(17-12-11-13-18-37)32(49)42-23-24-15-14-16-26(19-24)38(39,40)41;1-28(2,3)24-18-22(19-25(32-24)29(4,5)6)26(35)33-30(16-10-9-11-17-30)27(36)31-20-21-12-14-23(15-13-21)34(7)8;1-18-14-20(31-32(18)8)17-28-24(34)27(12-10-9-11-13-27)30-23(33)19-15-21(25(2,3)4)29-22(16-19)26(5,6)7;1-25(2,3)20-16-19(17-21(18-20)26(4,5)6)23(31)30-27(12-8-7-9-13-27)24(32)29-22-10-14-28-15-11-22/h14-16,19-22H,11-13,17-18,23H2,1-10H3,(H,42,49)(H,43,46)(H,44,47)(H,45,48);12-15,18-19H,9-11,16-17,20H2,1-8H3,(H,31,36)(H,33,35);14-16H,9-13,17H2,1-8H3,(H,28,34)(H,30,33);10-11,14-18H,7-9,12-13H2,1-6H3,(H,30,31)(H,28,29,32)
InChIKeyAAEMLBHEWATGFQ-UHFFFAOYSA-N
MW2082.84 g/mol
LogP22.55
Rot. Bonds24

About 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide

3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide (PubChem CID 157050831) has the molecular formula C122H175F3N16O10 and a molecular weight of 2082.84 g/mol. Its IUPAC name is 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide
PubChem CID157050831
Molecular FormulaC122H175F3N16O10
Molecular Weight2082.84 g/mol
Exact Mass2081.36
IUPAC Name3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)(C)NC(=O)C(C)(C)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc(C(C)(C)C(=O)NC(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3ccncc3)CCCCC2)cc(C(C)(C)C)c1.CN(C)c1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)cc1.Cc1cc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)nn1C
InChIInChI=1S/C38H53F3N4O4.C30H44N4O2.C27H41N5O2.C27H37N3O2/c1-33(2,3)44-30(47)35(7,8)27-20-25(21-28(22-27)36(9,10)31(48)45-34(4,5)6)29(46)43-37(17-12-11-13-18-37)32(49)42-23-24-15-14-16-26(19-24)38(39,40)41;1-28(2,3)24-18-22(19-25(32-24)29(4,5)6)26(35)33-30(16-10-9-11-17-30)27(36)31-20-21-12-14-23(15-13-21)34(7)8;1-18-14-20(31-32(18)8)17-28-24(34)27(12-10-9-11-13-27)30-23(33)19-15-21(25(2,3)4)29-22(16-19)26(5,6)7;1-25(2,3)20-16-19(17-21(18-20)26(4,5)6)23(31)30-27(12-8-7-9-13-27)24(32)29-22-10-14-28-15-11-22/h14-16,19-22H,11-13,17-18,23H2,1-10H3,(H,42,49)(H,43,46)(H,44,47)(H,45,48);12-15,18-19H,9-11,16-17,20H2,1-8H3,(H,31,36)(H,33,35);14-16H,9-13,17H2,1-8H3,(H,28,34)(H,30,33);10-11,14-18H,7-9,12-13H2,1-6H3,(H,30,31)(H,28,29,32)
InChIKeyAAEMLBHEWATGFQ-UHFFFAOYSA-N
XLogP22.55
TPSA350.73 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.84
LogP ≤ 522.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide with MolForge

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Related Compounds

6-(4-(4-(1H-pyrazol-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-fluorobenzyl)piperidin-4-yl)nicotinamide
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3-[[2-[3-(6-Methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
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(R)-N-(4-(1-(1-acryloylpiperidin-3-yl)-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)-3-(trifluoromethyl)benzamide
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US20230286943, Example 17
CID 162362401
WO2022091056, Example 161
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ALP-POS-305f6ec3-26
CID 156906765
3-(2-(5-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)-acetamido)benzamide
CID 54581525
WO2022091056, Example 141
CID 164514367
WO2022091056, Example 68
CID 164514311
US20230286943, Example 19
CID 166871728
US12319655, Example 364
CID 168930642
US12319655, Example 330
CID 170100795

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide (CID 157050831) is 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide is CC(C)(C)NC(=O)C(C)(C)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc(C(C)(C)C(=O)NC(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3ccncc3)CCCCC2)cc(C(C)(C)C)c1.CN(C)c1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)cc1.Cc1cc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)nn1C.
What is the InChIKey of 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is AAEMLBHEWATGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H53F3N4O4.C30H44N4O2.C27H41N5O2.C27H37N3O2/c1-33(2,3)44-30(47)35(7,8)27-20-25(21-28(22-27)36(9,10)31(48)45-34(4,5)6)29(46)43-37(17-12-11-13-18-37)32(49)42-23-24-15-14-16-26(19-24)38(39,40)41;1-28(2,3)24-18-22(19-25(32-24)29(4,5)6)26(35)33-30(16-10-9-11-17-30)27(36)31-20-21-12-14-23(15-13-21)34(7)8;1-18-14-20(31-32(18)8)17-28-24(34)27(12-10-9-11-13-27)30-23(33)19-15-21(25(2,3)4)29-22(16-19)26(5,6)7;1-25(2,3)20-16-19(17-21(18-20)26(4,5)6)23(31)30-27(12-8-7-9-13-27)24(32)29-22-10-14-28-15-11-22/h14-16,19-22H,11-13,17-18,23H2,1-10H3,(H,42,49)(H,43,46)(H,44,47)(H,45,48);12-15,18-19H,9-11,16-17,20H2,1-8H3,(H,31,36)(H,33,35);14-16H,9-13,17H2,1-8H3,(H,28,34)(H,30,33);10-11,14-18H,7-9,12-13H2,1-6H3,(H,30,31)(H,28,29,32).
What are the key properties of 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide?
3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 2082.84 g/mol, XLogP of 22.55, 24 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-[[4-(dimethylamino)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;2,6-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-4-ylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 157050831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).