bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene

C208H319ClF9N15O10 — CID 159917979

About bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene

bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene (PubChem CID 159917979) has the molecular formula C208H319ClF9N15O10 and a molecular weight of 3396.37 g/mol. Its IUPAC name is bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene
• PubChem CID: 159917979
• Molecular Formula: C208H319ClF9N15O10
• Molecular Weight: 3396.37 g/mol
• Exact Mass: 3393.45
• IUPAC Name: bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene
• SMILES: CC(C)NC(=O)c1cc(C(C)C)cc(C(C)(C)C)c1.CC(C)NC(=O)c1cc(C(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N(C)C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N(C)C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N(C)C(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)NC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)n1.CC(C)c1cc(C(F)(F)F)c(=O)n(CC(C)(C)C)c1.CC(C)c1cc(C2(C)CC2)nc(C(C)(C)C)n1.CC(C)c1cc(Cl)cc(C2(C)CC2)c1.CC(C)c1cc(OC(F)(F)F)cc(C(=O)NC(C)(C)C)c1.CC(C)c1cc(OC(F)(F)F)cc(C2(C)CC2)c1
• InChI: InChI=1S/C19H31NO.C18H30N2O.C18H29NO.C17H28N2O.2C17H27NO.C16H25N.C15H20F3NO2.2C15H24N2.C14H20F3NO.C14H17F3O.C13H17Cl/c1-13(2)14-10-15(12-16(11-14)18(3,4)5)17(21)20(9)19(6,7)8;1-12(2)13-10-14(16(21)20(9)18(6,7)8)19-15(11-13)17(3,4)5;1-12(2)14-9-15(17(20)19(8)13(3)4)11-16(10-14)18(5,6)7;1-11(2)12-9-13(15(20)19-17(6,7)8)18-14(10-12)16(3,4)5;2*1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5,6)7;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6)7-8-16;1-9(2)10-6-11(13(20)19-14(3,4)5)8-12(7-10)21-15(16,17)18;1-10(2)11-9-12(15(6)7-8-15)17-13(16-11)14(3,4)5;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6)7-8-15;1-9(2)10-6-11(14(15,16)17)12(19)18(7-10)8-13(3,4)5;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)18-14(15,16)17;1-9(2)10-6-11(8-12(14)7-10)13(3)4-5-13/h10-13H,1-9H3;10-12H,1-9H3;9-13H,1-8H3;9-11H,1-8H3,(H,19,20);2*8-12H,1-7H3,(H,18,19);9-11H,7-8H2,1-6H3;6-9H,1-5H3,(H,19,20);2*9-10H,7-8H2,1-6H3;6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3
• InChIKey: NYALMEQVRDFAGU-UHFFFAOYSA-N
• XLogP: 56.46
• TPSA: 308.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3396.37
LogP ≤ 5	56.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene?

The IUPAC name of bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene (CID 159917979) is bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene.

What is the SMILES notation for bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene?

The canonical SMILES for bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene is CC(C)NC(=O)c1cc(C(C)C)cc(C(C)(C)C)c1.CC(C)NC(=O)c1cc(C(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N(C)C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N(C)C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N(C)C(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)NC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)n1.CC(C)c1cc(C(F)(F)F)c(=O)n(CC(C)(C)C)c1.CC(C)c1cc(C2(C)CC2)nc(C(C)(C)C)n1.CC(C)c1cc(Cl)cc(C2(C)CC2)c1.CC(C)c1cc(OC(F)(F)F)cc(C(=O)NC(C)(C)C)c1.CC(C)c1cc(OC(F)(F)F)cc(C2(C)CC2)c1.

What is the InChIKey of bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene?

The InChIKey is NYALMEQVRDFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.C18H30N2O.C18H29NO.C17H28N2O.2C17H27NO.C16H25N.C15H20F3NO2.2C15H24N2.C14H20F3NO.C14H17F3O.C13H17Cl/c1-13(2)14-10-15(12-16(11-14)18(3,4)5)17(21)20(9)19(6,7)8;1-12(2)13-10-14(16(21)20(9)18(6,7)8)19-15(11-13)17(3,4)5;1-12(2)14-9-15(17(20)19(8)13(3)4)11-16(10-14)18(5,6)7;1-11(2)12-9-13(15(20)19-17(6,7)8)18-14(10-12)16(3,4)5;2*1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5,6)7;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6)7-8-16;1-9(2)10-6-11(13(20)19-14(3,4)5)8-12(7-10)21-15(16,17)18;1-10(2)11-9-12(15(6)7-8-15)17-13(16-11)14(3,4)5;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6)7-8-15;1-9(2)10-6-11(14(15,16)17)12(19)18(7-10)8-13(3,4)5;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)18-14(15,16)17;1-9(2)10-6-11(8-12(14)7-10)13(3)4-5-13/h10-13H,1-9H3;10-12H,1-9H3;9-13H,1-8H3;9-11H,1-8H3,(H,19,20);2*8-12H,1-7H3,(H,18,19);9-11H,7-8H2,1-6H3;6-9H,1-5H3,(H,19,20);2*9-10H,7-8H2,1-6H3;6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3.

What are the key properties of bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene?

bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene has a molecular weight of 3396.37 g/mol, XLogP of 56.46, 31 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 159917979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).