N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene

C110H199FN12O11 — CID 159287324

About N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene

N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene (PubChem CID 159287324) has the molecular formula C110H199FN12O11 and a molecular weight of 1884.87 g/mol. Its IUPAC name is N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene.

Molecular Properties

• Compound Name: N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene
• PubChem CID: 159287324
• Molecular Formula: C110H199FN12O11
• Molecular Weight: 1884.87 g/mol
• Exact Mass: 1883.54
• IUPAC Name: N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene
• SMILES: CC(C)(C)/C=C(\F)C(C)(C)C.CC(C)(C)C(=O)C1(C(=O)C(C)(C)C)CCC1.CC(C)(C)C(=O)C1(C(=O)C[C@@H](CCCNC(N)=O)C(C)(C)C)CCC1.CC(C)(C)CC(=O)C1(C(=O)C[C@@H](CCCNC(N)=O)C(C)(C)C)CCC1.CC(C)(C)NC(=O)C1(C(=O)C(C)(C)C)CCC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1
• InChI: InChI=1S/C21H38N2O3.C20H36N2O3.C14H25NO2.C14H24O2.C11H19NO.C10H19F.2C10H19N3/c1-19(2,3)14-17(25)21(10-8-11-21)16(24)13-15(20(4,5)6)9-7-12-23-18(22)26;1-18(2,3)14(9-7-12-22-17(21)25)13-15(23)20(10-8-11-20)16(24)19(4,5)6;1-12(2,3)10(16)14(8-7-9-14)11(17)15-13(4,5)6;1-12(2,3)10(15)14(8-7-9-14)11(16)13(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6/h15H,7-14H2,1-6H3,(H3,22,23,26);14H,7-13H2,1-6H3,(H3,21,22,25);7-9H2,1-6H3,(H,15,17);7-9H2,1-6H3;7H,1-6H3;7H,1-6H3;1-6H3,(H,11,12,13);7H,1-6H3/b;;;;;8-7-;;/t15-;14-;;;;;;/m11....../s1
• InChIKey: KZRCYLNRFQGHJW-LEPFUHRKSA-N
• XLogP: 26.08
• TPSA: 357.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.87
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene?

The IUPAC name of N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene (CID 159287324) is N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene.

What is the SMILES notation for N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene?

The canonical SMILES for N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene is CC(C)(C)/C=C(\F)C(C)(C)C.CC(C)(C)C(=O)C1(C(=O)C(C)(C)C)CCC1.CC(C)(C)C(=O)C1(C(=O)C[C@@H](CCCNC(N)=O)C(C)(C)C)CCC1.CC(C)(C)CC(=O)C1(C(=O)C[C@@H](CCCNC(N)=O)C(C)(C)C)CCC1.CC(C)(C)NC(=O)C1(C(=O)C(C)(C)C)CCC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.

What is the InChIKey of N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene?

The InChIKey is KZRCYLNRFQGHJW-LEPFUHRKSA-N. The full InChI is InChI=1S/C21H38N2O3.C20H36N2O3.C14H25NO2.C14H24O2.C11H19NO.C10H19F.2C10H19N3/c1-19(2,3)14-17(25)21(10-8-11-21)16(24)13-15(20(4,5)6)9-7-12-23-18(22)26;1-18(2,3)14(9-7-12-22-17(21)25)13-15(23)20(10-8-11-20)16(24)19(4,5)6;1-12(2,3)10(16)14(8-7-9-14)11(17)15-13(4,5)6;1-12(2,3)10(15)14(8-7-9-14)11(16)13(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6/h15H,7-14H2,1-6H3,(H3,22,23,26);14H,7-13H2,1-6H3,(H3,21,22,25);7-9H2,1-6H3,(H,15,17);7-9H2,1-6H3;7H,1-6H3;7H,1-6H3;1-6H3,(H,11,12,13);7H,1-6H3/b;;;;;8-7-;;/t15-;14-;;;;;;/m11....../s1.

What are the key properties of N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene?

N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene has a molecular weight of 1884.87 g/mol, XLogP of 26.08, 21 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-(2,2-dimethylpropanoyl)cyclobutane-1-carboxamide;3,5-ditert-butyl-1,2-oxazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;[(4R)-4-[2-[1-(3,3-dimethylbutanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;1-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2,2-dimethylpropan-1-one;[(4R)-4-[2-[1-(2,2-dimethylpropanoyl)cyclobutyl]-2-oxoethyl]-5,5-dimethylhexyl]urea;(Z)-3-fluoro-2,2,5,5-tetramethylhex-3-ene is sourced from PubChem (CID 159287324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).