N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene

C178H268F6N8O4 — CID 158776667

About N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene

N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene (PubChem CID 158776667) has the molecular formula C178H268F6N8O4 and a molecular weight of 2698.14 g/mol. Its IUPAC name is N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene
• PubChem CID: 158776667
• Molecular Formula: C178H268F6N8O4
• Molecular Weight: 2698.14 g/mol
• Exact Mass: 2696.09
• IUPAC Name: N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene
• SMILES: CC(C)NC(=O)c1cc(C(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(=O)NC(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)NC(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)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)cc(C2(C)CC2)c1.CC(C)c1cc(C2(C)CC2)nc(C(C)(C)C)n1.CC(C)c1cc(OC(F)(F)F)cc(C2(C)CC2)c1
• InChI: InChI=1S/C18H27NO.C18H29NO.C17H25NO.2C17H26.C17H28.C16H25N.2C15H24N2.C14H17F3O.C14H17F3/c1-12(2)13-9-14(16(20)19-17(3,4)5)11-15(10-13)18(6)7-8-18;1-12(2)13-9-14(16(20)19-18(6,7)8)11-15(10-13)17(3,4)5;1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5)6-7-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6)7-8-16;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(13(3)4-5-13)8-12(7-10)18-14(15,16)17;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)14(15,16)17/h9-12H,7-8H2,1-6H3,(H,19,20);9-12H,1-8H3,(H,19,20);8-12H,6-7H2,1-5H3,(H,18,19);2*9-12H,7-8H2,1-6H3;9-12H,1-8H3;9-11H,7-8H2,1-6H3;2*9-10H,7-8H2,1-6H3;6-9H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3
• InChIKey: IQOAMHFUQDYWLA-UHFFFAOYSA-N
• XLogP: 50.84
• TPSA: 160.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2698.14
LogP ≤ 5	50.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?

The IUPAC name of N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene (CID 158776667) is N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene.

What is the SMILES notation for N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?

The canonical SMILES for N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene is CC(C)NC(=O)c1cc(C(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(=O)NC(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(=O)NC(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)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)cc(C2(C)CC2)c1.CC(C)c1cc(C2(C)CC2)nc(C(C)(C)C)n1.CC(C)c1cc(OC(F)(F)F)cc(C2(C)CC2)c1.

What is the InChIKey of N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?

The InChIKey is IQOAMHFUQDYWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.C18H29NO.C17H25NO.2C17H26.C17H28.C16H25N.2C15H24N2.C14H17F3O.C14H17F3/c1-12(2)13-9-14(16(20)19-17(3,4)5)11-15(10-13)18(6)7-8-18;1-12(2)13-9-14(16(20)19-18(6,7)8)11-15(10-13)17(3,4)5;1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5)6-7-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6)7-8-16;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(13(3)4-5-13)8-12(7-10)18-14(15,16)17;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)14(15,16)17/h9-12H,7-8H2,1-6H3,(H,19,20);9-12H,1-8H3,(H,19,20);8-12H,6-7H2,1-5H3,(H,18,19);2*9-12H,7-8H2,1-6H3;9-12H,1-8H3;9-11H,7-8H2,1-6H3;2*9-10H,7-8H2,1-6H3;6-9H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3.

What are the key properties of N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?

N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene has a molecular weight of 2698.14 g/mol, XLogP of 50.84, 25 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzamide;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);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;N,3-ditert-butyl-5-propan-2-ylbenzamide;1,3-ditert-butyl-5-propan-2-ylbenzene;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 158776667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).