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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol

C227H442FN13O18 — CID 157077050

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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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.CCCNC(=O)C(C)(C)C.CN(C)C(=O)C(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H17NO.C11H15F.C11H23NO2.C11H15NO.C10H20N2O.C10H21NO2.C10H19NO.C10H14.C9H17NO2.C9H17NO.C9H19NO.C9H18.2C8H17NO.C8H18O.2C8H16.3C8H18.C7H15NO.C7H16O.C7H14O.C7H14.C7H16.C7H14/c1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-11(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;1-10(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;1-10(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)7(11)10-9(4,5)6;1-9(2,3)8-6-4-5-7-8;1-6(2)9-7(10)8(3,4)5;1-5-6-9-7(10)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);4-7H,8H2,1-3H3;8,13H,7H2,1-6H3,(H,12,14);4-8H,1-3H3,(H,12,13);5-8H2,1-4H3;12H,6-7H2,1-5H3,(H,11,13);4-8H2,1-3H3;4-8H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-6H3,(H,10,11);8H,4-7H2,1-3H3;6H,1-5H3,(H,9,10);5-6H2,1-4H3,(H,9,10);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
InChIKeyADBZZJWVBINPBL-UHFFFAOYSA-N
MW3661.10 g/mol
LogP58.14
Rot. Bonds14

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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol (PubChem CID 157077050) has the molecular formula C227H442FN13O18 and a molecular weight of 3661.10 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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol
PubChem CID157077050
Molecular FormulaC227H442FN13O18
Molecular Weight3661.10 g/mol
Exact Mass3658.41
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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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.CCCNC(=O)C(C)(C)C.CN(C)C(=O)C(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H17NO.C11H15F.C11H23NO2.C11H15NO.C10H20N2O.C10H21NO2.C10H19NO.C10H14.C9H17NO2.C9H17NO.C9H19NO.C9H18.2C8H17NO.C8H18O.2C8H16.3C8H18.C7H15NO.C7H16O.C7H14O.C7H14.C7H16.C7H14/c1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-11(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;1-10(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;1-10(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)7(11)10-9(4,5)6;1-9(2,3)8-6-4-5-7-8;1-6(2)9-7(10)8(3,4)5;1-5-6-9-7(10)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);4-7H,8H2,1-3H3;8,13H,7H2,1-6H3,(H,12,14);4-8H,1-3H3,(H,12,13);5-8H2,1-4H3;12H,6-7H2,1-5H3,(H,11,13);4-8H2,1-3H3;4-8H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-6H3,(H,10,11);8H,4-7H2,1-3H3;6H,1-5H3,(H,9,10);5-6H2,1-4H3,(H,9,10);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
InChIKeyADBZZJWVBINPBL-UHFFFAOYSA-N
XLogP58.14
TPSA404.71 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms259
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003661.10
LogP ≤ 558.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol (CID 157077050) 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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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.CCCNC(=O)C(C)(C)C.CN(C)C(=O)C(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.
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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol?
The InChIKey is ADBZZJWVBINPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C11H15F.C11H23NO2.C11H15NO.C10H20N2O.C10H21NO2.C10H19NO.C10H14.C9H17NO2.C9H17NO.C9H19NO.C9H18.2C8H17NO.C8H18O.2C8H16.3C8H18.C7H15NO.C7H16O.C7H14O.C7H14.C7H16.C7H14/c1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;1-11(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;1-10(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;1-10(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)7(11)10-9(4,5)6;1-9(2,3)8-6-4-5-7-8;1-6(2)9-7(10)8(3,4)5;1-5-6-9-7(10)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);4-7H,8H2,1-3H3;8,13H,7H2,1-6H3,(H,12,14);4-8H,1-3H3,(H,12,13);5-8H2,1-4H3;12H,6-7H2,1-5H3,(H,11,13);4-8H2,1-3H3;4-8H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-6H3,(H,10,11);8H,4-7H2,1-3H3;6H,1-5H3,(H,9,10);5-6H2,1-4H3,(H,9,10);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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol has a molecular weight of 3661.10 g/mol, XLogP of 58.14, 14 rotatable bonds, 10 hydrogen bond donors, and 19 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;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;tris(2,2,3,3-tetramethylbutane);N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 157077050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).