6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C170H254F5N13O38S — CID 160785490

IUPAC6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)NC(=O)C12CCC(C)(C(=O)O1)C2(C)C.CCC(C)(C)C(=O)NC(=O)C1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C1OC(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)NC(=O)C1CCCC1.CCC(C)(C)C(=O)NC(=O)C1CCCCC1.CCC(C)(C)C(=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F.CCC(C)(C)C(=O)NC(=S)C1C2CC3C(=O)OC1C3C2.CCCCC(=O)NC(=O)C(C)(C)CC
InChIInChI=1S/C17H23NO6.C17H27NO2.C16H20N2O4.C16H25NO4.C15H21NO4.C15H21NO3S.C14H19NO5.C13H12F5NO2.C13H23NO2.C12H21NO2.2C11H21NO2/c1-5-17(2,3)16(22)18-13(19)11-7-6-8-10(9(7)14(20)23-4)15(21)24-12(8)11;1-4-16(2,3)14(19)18-15(20)17-8-11-5-12(9-17)7-13(6-11)10-17;1-4-15(2,3)13(20)18-12(19)10-8-5-9-11(10)22-14(21)16(9,6-8)7-17;1-7-13(2,3)10(18)17-11(19)16-9-8-15(6,12(20)21-16)14(16,4)5;1-4-15(2,3)14(19)16-12(17)10-7-5-8-9(6-7)13(18)20-11(8)10;1-4-15(2,3)14(18)16-12(20)10-7-5-8-9(6-7)13(17)19-11(8)10;1-4-14(2,3)13(18)15-11(16)8-7-5-6-9(19-7)10(8)20-12(6)17;1-4-13(2,3)12(21)19-11(20)5-6(14)8(16)10(18)9(17)7(5)15;1-4-13(2,3)12(16)14-11(15)10-8-6-5-7-9-10;1-4-12(2,3)11(15)13-10(14)9-7-5-6-8-9;1-7-11(5,6)9(14)12-8(13)10(2,3)4;1-5-7-8-9(13)12-10(14)11(3,4)6-2/h7-12H,5-6H2,1-4H3,(H,18,19,22);11-13H,4-10H2,1-3H3,(H,18,19,20);8-11H,4-6H2,1-3H3,(H,18,19,20);7-9H2,1-6H3,(H,17,18,19);7-11H,4-6H2,1-3H3,(H,16,17,19);7-11H,4-6H2,1-3H3,(H,16,18,20);6-10H,4-5H2,1-3H3,(H,15,16,18);4H2,1-3H3,(H,19,20,21);10H,4-9H2,1-3H3,(H,14,15,16);9H,4-8H2,1-3H3,(H,13,14,15);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14)
InChIKeySBDMAFVJBTXPRS-UHFFFAOYSA-N
MW3215.01 g/mol
LogP23.35
Rot. Bonds38

About 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 160785490) has the molecular formula C170H254F5N13O38S and a molecular weight of 3215.01 g/mol. Its IUPAC name is 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Name6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID160785490
Molecular FormulaC170H254F5N13O38S
Molecular Weight3215.01 g/mol
Exact Mass3212.80
IUPAC Name6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)NC(=O)C12CCC(C)(C(=O)O1)C2(C)C.CCC(C)(C)C(=O)NC(=O)C1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C1OC(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)NC(=O)C1CCCC1.CCC(C)(C)C(=O)NC(=O)C1CCCCC1.CCC(C)(C)C(=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F.CCC(C)(C)C(=O)NC(=S)C1C2CC3C(=O)OC1C3C2.CCCCC(=O)NC(=O)C(C)(C)CC
InChIInChI=1S/C17H23NO6.C17H27NO2.C16H20N2O4.C16H25NO4.C15H21NO4.C15H21NO3S.C14H19NO5.C13H12F5NO2.C13H23NO2.C12H21NO2.2C11H21NO2/c1-5-17(2,3)16(22)18-13(19)11-7-6-8-10(9(7)14(20)23-4)15(21)24-12(8)11;1-4-16(2,3)14(19)18-15(20)17-8-11-5-12(9-17)7-13(6-11)10-17;1-4-15(2,3)13(20)18-12(19)10-8-5-9-11(10)22-14(21)16(9,6-8)7-17;1-7-13(2,3)10(18)17-11(19)16-9-8-15(6,12(20)21-16)14(16,4)5;1-4-15(2,3)14(19)16-12(17)10-7-5-8-9(6-7)13(18)20-11(8)10;1-4-15(2,3)14(18)16-12(20)10-7-5-8-9(6-7)13(17)19-11(8)10;1-4-14(2,3)13(18)15-11(16)8-7-5-6-9(19-7)10(8)20-12(6)17;1-4-13(2,3)12(21)19-11(20)5-6(14)8(16)10(18)9(17)7(5)15;1-4-13(2,3)12(16)14-11(15)10-8-6-5-7-9-10;1-4-12(2,3)11(15)13-10(14)9-7-5-6-8-9;1-7-11(5,6)9(14)12-8(13)10(2,3)4;1-5-7-8-9(13)12-10(14)11(3,4)6-2/h7-12H,5-6H2,1-4H3,(H,18,19,22);11-13H,4-10H2,1-3H3,(H,18,19,20);8-11H,4-6H2,1-3H3,(H,18,19,20);7-9H2,1-6H3,(H,17,18,19);7-11H,4-6H2,1-3H3,(H,16,17,19);7-11H,4-6H2,1-3H3,(H,16,18,20);6-10H,4-5H2,1-3H3,(H,15,16,18);4H2,1-3H3,(H,19,20,21);10H,4-9H2,1-3H3,(H,14,15,16);9H,4-8H2,1-3H3,(H,13,14,15);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14)
InChIKeySBDMAFVJBTXPRS-UHFFFAOYSA-N
XLogP23.35
TPSA754.09 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003215.01
LogP ≤ 523.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 160785490) is 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is CCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)NC(=O)C12CCC(C)(C(=O)O1)C2(C)C.CCC(C)(C)C(=O)NC(=O)C1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)NC(=O)C1C2CC3C1OC(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)NC(=O)C1CCCC1.CCC(C)(C)C(=O)NC(=O)C1CCCCC1.CCC(C)(C)C(=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F.CCC(C)(C)C(=O)NC(=S)C1C2CC3C(=O)OC1C3C2.CCCCC(=O)NC(=O)C(C)(C)CC.
What is the InChIKey of 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is SBDMAFVJBTXPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6.C17H27NO2.C16H20N2O4.C16H25NO4.C15H21NO4.C15H21NO3S.C14H19NO5.C13H12F5NO2.C13H23NO2.C12H21NO2.2C11H21NO2/c1-5-17(2,3)16(22)18-13(19)11-7-6-8-10(9(7)14(20)23-4)15(21)24-12(8)11;1-4-16(2,3)14(19)18-15(20)17-8-11-5-12(9-17)7-13(6-11)10-17;1-4-15(2,3)13(20)18-12(19)10-8-5-9-11(10)22-14(21)16(9,6-8)7-17;1-7-13(2,3)10(18)17-11(19)16-9-8-15(6,12(20)21-16)14(16,4)5;1-4-15(2,3)14(19)16-12(17)10-7-5-8-9(6-7)13(18)20-11(8)10;1-4-15(2,3)14(18)16-12(20)10-7-5-8-9(6-7)13(17)19-11(8)10;1-4-14(2,3)13(18)15-11(16)8-7-5-6-9(19-7)10(8)20-12(6)17;1-4-13(2,3)12(21)19-11(20)5-6(14)8(16)10(18)9(17)7(5)15;1-4-13(2,3)12(16)14-11(15)10-8-6-5-7-9-10;1-4-12(2,3)11(15)13-10(14)9-7-5-6-8-9;1-7-11(5,6)9(14)12-8(13)10(2,3)4;1-5-7-8-9(13)12-10(14)11(3,4)6-2/h7-12H,5-6H2,1-4H3,(H,18,19,22);11-13H,4-10H2,1-3H3,(H,18,19,20);8-11H,4-6H2,1-3H3,(H,18,19,20);7-9H2,1-6H3,(H,17,18,19);7-11H,4-6H2,1-3H3,(H,16,17,19);7-11H,4-6H2,1-3H3,(H,16,18,20);6-10H,4-5H2,1-3H3,(H,15,16,18);4H2,1-3H3,(H,19,20,21);10H,4-9H2,1-3H3,(H,14,15,16);9H,4-8H2,1-3H3,(H,13,14,15);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14).
What are the key properties of 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 3215.01 g/mol, XLogP of 23.35, 38 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)adamantane-1-carboxamide;N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxamide;N-(2,2-dimethylbutanoyl)-2,3,4,5,6-pentafluorobenzamide;N-(2,2-dimethylbutanoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide;2,2-dimethyl-N-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbothioyl)butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;methyl 2-(2,2-dimethylbutanoylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 160785490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).