N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate

C177H289F5N14O32 — CID 160836504

IUPACN-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate
SMILESCCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)NCC12CCC(C)(C(=O)O1)C2(C)C.CCC(C)(C)C(=O)NCC1C2CC3C(OC(=O)C13)C2C(=O)OC.CCC(C)(C)C(=O)NCC1C2CC3OC(=O)C1C3C2.CCC(C)(C)C(=O)NCC1C2CC3OC(=O)C1C3O2.CCC(C)(C)C(=O)NCC1CCCC1.CCC(C)(C)C(=O)NCC1CCCCC1.CCC(C)(C)C(=O)NCC1CCOC1=O.CCC(C)(C)C(=O)NCC1COC(=O)C1.CCC(C)(C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F.CCCCC(=O)NC(=O)C(C)(C)CC.[C-]#[N+]C1C2CC3C1OC(=O)C3C2CNC(=O)C(C)(C)CC
InChIInChI=1S/C17H25NO5.C17H29NO.C16H22N2O3.C16H27NO3.C15H23NO3.C14H21NO4.C13H14F5NO.C13H25NO.C12H23NO.2C11H19NO3.2C11H21NO2/c1-5-17(2,3)16(21)18-7-10-8-6-9-11(10)15(20)23-13(9)12(8)14(19)22-4;1-4-16(2,3)15(19)18-11-17-8-12-5-13(9-17)7-14(6-12)10-17;1-5-16(2,3)15(20)18-7-10-8-6-9-11(10)14(19)21-13(9)12(8)17-4;1-7-13(2,3)11(18)17-10-16-9-8-15(6,12(19)20-16)14(16,4)5;1-4-15(2,3)14(18)16-7-10-8-5-9-11(6-8)19-13(17)12(9)10;1-4-14(2,3)13(17)15-6-7-8-5-9-11(18-8)10(7)12(16)19-9;1-4-13(2,3)12(20)19-5-6-7(14)9(16)11(18)10(17)8(6)15;1-4-13(2,3)12(15)14-10-11-8-6-5-7-9-11;1-4-12(2,3)11(14)13-9-10-7-5-6-8-10;1-4-11(2,3)10(14)12-6-8-5-9(13)15-7-8;1-4-11(2,3)10(14)12-7-8-5-6-15-9(8)13;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/h8-13H,5-7H2,1-4H3,(H,18,21);12-14H,4-11H2,1-3H3,(H,18,19);8-13H,5-7H2,1-3H3,(H,18,20);7-10H2,1-6H3,(H,17,18);8-12H,4-7H2,1-3H3,(H,16,18);7-11H,4-6H2,1-3H3,(H,15,17);4-5H2,1-3H3,(H,19,20);11H,4-10H2,1-3H3,(H,14,15);10H,4-9H2,1-3H3,(H,13,14);2*8H,4-7H2,1-3H3,(H,12,14);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14)
InChIKeySHMAWURYMRSINS-UHFFFAOYSA-N
MW3220.31 g/mol
LogP27.64
Rot. Bonds52

About N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate

N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate (PubChem CID 160836504) has the molecular formula C177H289F5N14O32 and a molecular weight of 3220.31 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate
PubChem CID160836504
Molecular FormulaC177H289F5N14O32
Molecular Weight3220.31 g/mol
Exact Mass3218.13
IUPAC NameN-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate
SMILESCCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)NCC12CCC(C)(C(=O)O1)C2(C)C.CCC(C)(C)C(=O)NCC1C2CC3C(OC(=O)C13)C2C(=O)OC.CCC(C)(C)C(=O)NCC1C2CC3OC(=O)C1C3C2.CCC(C)(C)C(=O)NCC1C2CC3OC(=O)C1C3O2.CCC(C)(C)C(=O)NCC1CCCC1.CCC(C)(C)C(=O)NCC1CCCCC1.CCC(C)(C)C(=O)NCC1CCOC1=O.CCC(C)(C)C(=O)NCC1COC(=O)C1.CCC(C)(C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F.CCCCC(=O)NC(=O)C(C)(C)CC.[C-]#[N+]C1C2CC3C1OC(=O)C3C2CNC(=O)C(C)(C)CC
InChIInChI=1S/C17H25NO5.C17H29NO.C16H22N2O3.C16H27NO3.C15H23NO3.C14H21NO4.C13H14F5NO.C13H25NO.C12H23NO.2C11H19NO3.2C11H21NO2/c1-5-17(2,3)16(21)18-7-10-8-6-9-11(10)15(20)23-13(9)12(8)14(19)22-4;1-4-16(2,3)15(19)18-11-17-8-12-5-13(9-17)7-14(6-12)10-17;1-5-16(2,3)15(20)18-7-10-8-6-9-11(10)14(19)21-13(9)12(8)17-4;1-7-13(2,3)11(18)17-10-16-9-8-15(6,12(19)20-16)14(16,4)5;1-4-15(2,3)14(18)16-7-10-8-5-9-11(6-8)19-13(17)12(9)10;1-4-14(2,3)13(17)15-6-7-8-5-9-11(18-8)10(7)12(16)19-9;1-4-13(2,3)12(20)19-5-6-7(14)9(16)11(18)10(17)8(6)15;1-4-13(2,3)12(15)14-10-11-8-6-5-7-9-11;1-4-12(2,3)11(14)13-9-10-7-5-6-8-10;1-4-11(2,3)10(14)12-6-8-5-9(13)15-7-8;1-4-11(2,3)10(14)12-7-8-5-6-15-9(8)13;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/h8-13H,5-7H2,1-4H3,(H,18,21);12-14H,4-11H2,1-3H3,(H,18,19);8-13H,5-7H2,1-3H3,(H,18,20);7-10H2,1-6H3,(H,17,18);8-12H,4-7H2,1-3H3,(H,16,18);7-11H,4-6H2,1-3H3,(H,15,17);4-5H2,1-3H3,(H,19,20);11H,4-10H2,1-3H3,(H,14,15);10H,4-9H2,1-3H3,(H,13,14);2*8H,4-7H2,1-3H3,(H,12,14);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14)
InChIKeySHMAWURYMRSINS-UHFFFAOYSA-N
XLogP27.64
TPSA636.43 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003220.31
LogP ≤ 527.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate?
The IUPAC name of N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate (CID 160836504) is N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate is CCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)NCC12CCC(C)(C(=O)O1)C2(C)C.CCC(C)(C)C(=O)NCC1C2CC3C(OC(=O)C13)C2C(=O)OC.CCC(C)(C)C(=O)NCC1C2CC3OC(=O)C1C3C2.CCC(C)(C)C(=O)NCC1C2CC3OC(=O)C1C3O2.CCC(C)(C)C(=O)NCC1CCCC1.CCC(C)(C)C(=O)NCC1CCCCC1.CCC(C)(C)C(=O)NCC1CCOC1=O.CCC(C)(C)C(=O)NCC1COC(=O)C1.CCC(C)(C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F.CCCCC(=O)NC(=O)C(C)(C)CC.[C-]#[N+]C1C2CC3C1OC(=O)C3C2CNC(=O)C(C)(C)CC.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate?
The InChIKey is SHMAWURYMRSINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5.C17H29NO.C16H22N2O3.C16H27NO3.C15H23NO3.C14H21NO4.C13H14F5NO.C13H25NO.C12H23NO.2C11H19NO3.2C11H21NO2/c1-5-17(2,3)16(21)18-7-10-8-6-9-11(10)15(20)23-13(9)12(8)14(19)22-4;1-4-16(2,3)15(19)18-11-17-8-12-5-13(9-17)7-14(6-12)10-17;1-5-16(2,3)15(20)18-7-10-8-6-9-11(10)14(19)21-13(9)12(8)17-4;1-7-13(2,3)11(18)17-10-16-9-8-15(6,12(19)20-16)14(16,4)5;1-4-15(2,3)14(18)16-7-10-8-5-9-11(6-8)19-13(17)12(9)10;1-4-14(2,3)13(17)15-6-7-8-5-9-11(18-8)10(7)12(16)19-9;1-4-13(2,3)12(20)19-5-6-7(14)9(16)11(18)10(17)8(6)15;1-4-13(2,3)12(15)14-10-11-8-6-5-7-9-11;1-4-12(2,3)11(14)13-9-10-7-5-6-8-10;1-4-11(2,3)10(14)12-6-8-5-9(13)15-7-8;1-4-11(2,3)10(14)12-7-8-5-6-15-9(8)13;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/h8-13H,5-7H2,1-4H3,(H,18,21);12-14H,4-11H2,1-3H3,(H,18,19);8-13H,5-7H2,1-3H3,(H,18,20);7-10H2,1-6H3,(H,17,18);8-12H,4-7H2,1-3H3,(H,16,18);7-11H,4-6H2,1-3H3,(H,15,17);4-5H2,1-3H3,(H,19,20);11H,4-10H2,1-3H3,(H,14,15);10H,4-9H2,1-3H3,(H,13,14);2*8H,4-7H2,1-3H3,(H,12,14);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14).
What are the key properties of N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate?
N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate has a molecular weight of 3220.31 g/mol, XLogP of 27.64, 52 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,2-dimethylbutanamide;N-(cyclohexylmethyl)-2,2-dimethylbutanamide;N-(cyclopentylmethyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]butanamide;2,2-dimethyl-N-[(2-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(5-oxooxolan-3-yl)methyl]butanamide;2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]butanamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide;2,2-dimethyl-N-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]butanamide;N-[(2-isocyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)methyl]-2,2-dimethylbutanamide;methyl 9-[(2,2-dimethylbutanoylamino)methyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate is sourced from PubChem (CID 160836504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).