N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol

C285H563FN18O25 — CID 158005443

IUPACN-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol
SMILESC=CCC(C)(C)C.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)NC(CO)C(C)(C)C.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C(=O)Nc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)O.CC(C)(C)C1(C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)Cc1ccccc1F.CC(C)(C)NC(=O)C(C)(C)C.CC(C)(C)OC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)C(C)(C)C.CC(C)NC(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CCC(C)(CO)NC(=O)C(C)(C)C.CCCN(C)C(=O)C(C)(C)C(C)(C)C.CCCNC(=O)C(C)(C)C.CCCNC(=O)C(C)(C)C(C)(C)C.CCOC(=O)CC(C)(C)C.CN(C)C(=O)C(C)(C)C.CN(C)C(=O)C(C)(C)C(C)(C)C.CN(C)C(=O)CC(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.CNC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C12H17NO.C12H25NO.C11H15F.C11H23NO2.C11H15NO.C11H23NO.C10H20N2O.C10H21NO2.C10H19NO.C10H21NO.C10H14.C9H17NO2.C9H17NO.2C9H19NO.C9H18.3C8H17NO.C8H16O2.C8H18O.2C8H16.3C8H18.C7H15NO.C7H16O.C7H14O.C7H14.C7H16.C7H14/c1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-8-9-13(7)10(14)12(5,6)11(2,3)4;1-11(2,3)8-9-6-4-5-7-10(9)12;1-10(2,3)8(7-13)12-9(14)11(4,5)6;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-7-8-12-9(13)11(5,6)10(2,3)4;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-6-10(5,7-12)11-8(13)9(2,3)4;1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)10(4,5)8(12)11(6)7;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)9(4,5)7(11)10-6;1-8(2,3)7(11)10-9(4,5)6;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-7(10)9(4)5;1-6(2)9-7(10)8(3,4)5;1-5-6-9-7(10)8(2,3)4;1-5-10-7(9)6-8(2,3)4;1-7(2,3)9-8(4,5)6;1-7(2,3)8(4)5-6-8;1-8(2,3)7-5-4-6-7;3*1-7(2,3)8(4,5)6;1-7(2,3)6(9)8(4)5;1-6(2,3)7(4,5)8;1-5-6(8)7(2,3)4;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5-6-7(2,3)4/h4-8H,9H2,1-3H3,(H,13,14);8-9H2,1-7H3;4-7H,8H2,1-3H3;8,13H,7H2,1-6H3,(H,12,14);4-8H,1-3H3,(H,12,13);7-8H2,1-6H3,(H,12,13);5-8H2,1-4H3;12H,6-7H2,1-5H3,(H,11,13);4-8H2,1-3H3;1-7H3;4-8H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;2*1-6H3,(H,10,11);8H,4-7H2,1-3H3;6H2,1-5H3;6H,1-5H3,(H,9,10);5-6H2,1-4H3,(H,9,10);5-6H2,1-4H3;1-6H3;5-6H2,1-4H3;7H,4-6H2,1-3H3;3*1-6H3;1-5H3;8H,1-5H3;5H2,1-4H3;6H,4-5H2,1-3H3;6H,1-5H3;5H,1,6H2,2-4H3
InChIKeyFEFVAEJGHDLPNA-UHFFFAOYSA-N
MW4661.74 g/mol
LogP71.10
Rot. Bonds25

About N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol

N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol (PubChem CID 158005443) has the molecular formula C285H563FN18O25 and a molecular weight of 4661.74 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound NameN-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol
PubChem CID158005443
Molecular FormulaC285H563FN18O25
Molecular Weight4661.74 g/mol
Exact Mass4658.33
IUPAC NameN-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol
SMILESC=CCC(C)(C)C.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)NC(CO)C(C)(C)C.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C(=O)Nc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)O.CC(C)(C)C1(C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)Cc1ccccc1F.CC(C)(C)NC(=O)C(C)(C)C.CC(C)(C)OC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)C(C)(C)C.CC(C)NC(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CCC(C)(CO)NC(=O)C(C)(C)C.CCCN(C)C(=O)C(C)(C)C(C)(C)C.CCCNC(=O)C(C)(C)C.CCCNC(=O)C(C)(C)C(C)(C)C.CCOC(=O)CC(C)(C)C.CN(C)C(=O)C(C)(C)C.CN(C)C(=O)C(C)(C)C(C)(C)C.CN(C)C(=O)CC(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.CNC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C12H17NO.C12H25NO.C11H15F.C11H23NO2.C11H15NO.C11H23NO.C10H20N2O.C10H21NO2.C10H19NO.C10H21NO.C10H14.C9H17NO2.C9H17NO.2C9H19NO.C9H18.3C8H17NO.C8H16O2.C8H18O.2C8H16.3C8H18.C7H15NO.C7H16O.C7H14O.C7H14.C7H16.C7H14/c1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-8-9-13(7)10(14)12(5,6)11(2,3)4;1-11(2,3)8-9-6-4-5-7-10(9)12;1-10(2,3)8(7-13)12-9(14)11(4,5)6;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-7-8-12-9(13)11(5,6)10(2,3)4;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-6-10(5,7-12)11-8(13)9(2,3)4;1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)10(4,5)8(12)11(6)7;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)9(4,5)7(11)10-6;1-8(2,3)7(11)10-9(4,5)6;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-7(10)9(4)5;1-6(2)9-7(10)8(3,4)5;1-5-6-9-7(10)8(2,3)4;1-5-10-7(9)6-8(2,3)4;1-7(2,3)9-8(4,5)6;1-7(2,3)8(4)5-6-8;1-8(2,3)7-5-4-6-7;3*1-7(2,3)8(4,5)6;1-7(2,3)6(9)8(4)5;1-6(2,3)7(4,5)8;1-5-6(8)7(2,3)4;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5-6-7(2,3)4/h4-8H,9H2,1-3H3,(H,13,14);8-9H2,1-7H3;4-7H,8H2,1-3H3;8,13H,7H2,1-6H3,(H,12,14);4-8H,1-3H3,(H,12,13);7-8H2,1-6H3,(H,12,13);5-8H2,1-4H3;12H,6-7H2,1-5H3,(H,11,13);4-8H2,1-3H3;1-7H3;4-8H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;2*1-6H3,(H,10,11);8H,4-7H2,1-3H3;6H2,1-5H3;6H,1-5H3,(H,9,10);5-6H2,1-4H3,(H,9,10);5-6H2,1-4H3;1-6H3;5-6H2,1-4H3;7H,4-6H2,1-3H3;3*1-6H3;1-5H3;8H,1-5H3;5H2,1-4H3;6H,4-5H2,1-3H3;6H,1-5H3;5H,1,6H2,2-4H3
InChIKeyFEFVAEJGHDLPNA-UHFFFAOYSA-N
XLogP71.10
TPSA550.14 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004661.74
LogP ≤ 571.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol?
The IUPAC name of N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol (CID 158005443) is N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol?
The canonical SMILES for N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol is C=CCC(C)(C)C.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)NC(CO)C(C)(C)C.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C(=O)Nc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)O.CC(C)(C)C1(C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)Cc1ccccc1F.CC(C)(C)NC(=O)C(C)(C)C.CC(C)(C)OC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)C(C)(C)C.CC(C)NC(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CCC(C)(CO)NC(=O)C(C)(C)C.CCCN(C)C(=O)C(C)(C)C(C)(C)C.CCCNC(=O)C(C)(C)C.CCCNC(=O)C(C)(C)C(C)(C)C.CCOC(=O)CC(C)(C)C.CN(C)C(=O)C(C)(C)C.CN(C)C(=O)C(C)(C)C(C)(C)C.CN(C)C(=O)CC(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.CNC(=O)C(C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol?
The InChIKey is FEFVAEJGHDLPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H25NO.C11H15F.C11H23NO2.C11H15NO.C11H23NO.C10H20N2O.C10H21NO2.C10H19NO.C10H21NO.C10H14.C9H17NO2.C9H17NO.2C9H19NO.C9H18.3C8H17NO.C8H16O2.C8H18O.2C8H16.3C8H18.C7H15NO.C7H16O.C7H14O.C7H14.C7H16.C7H14/c1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-8-9-13(7)10(14)12(5,6)11(2,3)4;1-11(2,3)8-9-6-4-5-7-10(9)12;1-10(2,3)8(7-13)12-9(14)11(4,5)6;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-7-8-12-9(13)11(5,6)10(2,3)4;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-6-10(5,7-12)11-8(13)9(2,3)4;1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)10(4,5)8(12)11(6)7;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)9(4,5)7(11)10-6;1-8(2,3)7(11)10-9(4,5)6;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-7(10)9(4)5;1-6(2)9-7(10)8(3,4)5;1-5-6-9-7(10)8(2,3)4;1-5-10-7(9)6-8(2,3)4;1-7(2,3)9-8(4,5)6;1-7(2,3)8(4)5-6-8;1-8(2,3)7-5-4-6-7;3*1-7(2,3)8(4,5)6;1-7(2,3)6(9)8(4)5;1-6(2,3)7(4,5)8;1-5-6(8)7(2,3)4;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5-6-7(2,3)4/h4-8H,9H2,1-3H3,(H,13,14);8-9H2,1-7H3;4-7H,8H2,1-3H3;8,13H,7H2,1-6H3,(H,12,14);4-8H,1-3H3,(H,12,13);7-8H2,1-6H3,(H,12,13);5-8H2,1-4H3;12H,6-7H2,1-5H3,(H,11,13);4-8H2,1-3H3;1-7H3;4-8H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;2*1-6H3,(H,10,11);8H,4-7H2,1-3H3;6H2,1-5H3;6H,1-5H3,(H,9,10);5-6H2,1-4H3,(H,9,10);5-6H2,1-4H3;1-6H3;5-6H2,1-4H3;7H,4-6H2,1-3H3;3*1-6H3;1-5H3;8H,1-5H3;5H2,1-4H3;6H,4-5H2,1-3H3;6H,1-5H3;5H,1,6H2,2-4H3.
What are the key properties of N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol?
N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol has a molecular weight of 4661.74 g/mol, XLogP of 71.10, 25 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethylpropanamide;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopentane;tert-butylcyclopropane;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butyl-1-methylcyclopropane;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-ene;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide;1-(2,2-dimethylpropyl)-2-fluorobenzene;2,2-dimethyl-N-propylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 3,3-dimethylbutanoate;N,N,2,2,3,3-hexamethylbutanamide;N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2,2-dimethylpropanamide;N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;N,2,2,3,3-pentamethylbutanamide;N,2,2,3,3-pentamethyl-N-propylbutanamide;N,N,3,3-tetramethylbutanamide;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3,3-tetramethyl-N-propylbutanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 158005443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).