N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one

C228H373FN6O14S2 — CID 160801032

About N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one

N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one (PubChem CID 160801032) has the molecular formula C228H373FN6O14S2 and a molecular weight of 3505.65 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one.

Molecular Properties

• Compound Name: N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one
• PubChem CID: 160801032
• Molecular Formula: C228H373FN6O14S2
• Molecular Weight: 3505.65 g/mol
• Exact Mass: 3502.81
• IUPAC Name: N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one
• SMILES: CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C(=O)c1cccc(C#N)c1.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(=O)c1ccncc1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCC1CCCCC1.CC(C)(C)CCCc1ccccc1.CC(C)(C)CCOCc1ccccc1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccc1F.CC(C)(C)NC(=O)C(C)(C)C.CC(CCC(C)(C)C)c1ccccc1.CCCCCC(C)(C)C.CCCCS(=O)(=O)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1.Cc1cc(C)cc(NC(=O)C(C)(C)C)c1.Cc1ccc(CCC(C)(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C14H22.C13H19NO.2C13H20O.2C13H20.C12H17F.C12H13NO.C12H17NO.C12H24.C12H18.C11H21NO.C11H16O2S.C11H14O.C10H13NO.C10H20O.C10H22.C9H19NO.C9H20.C8H18O2S/c1-12(10-11-14(2,3)4)13-8-6-5-7-9-13;1-9-6-10(2)8-11(7-9)14-12(15)13(3,4)5;1-13(2,3)10-9-11-5-7-12(14-4)8-6-11;1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;1-11-5-7-12(8-6-11)9-10-13(2,3)4;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-12(2,3)11(14)10-6-4-5-9(7-10)8-13;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-9-5-7-10(8-6-9)14(12,13)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-4-6-11-7-5-8;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-8-10(4,5)6;1-8(2,3)7(11)10-9(4,5)6;1-5-6-7-8-9(2,3)4;1-5-6-7-11(9,10)8(2,3)4/h5-9,12H,10-11H2,1-4H3;6-8H,1-5H3,(H,14,15);5-8H,9-10H2,1-4H3;4-8H,9-11H2,1-3H3;5-8H,9-10H2,1-4H3;4-6,8-9H,7,10-11H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,1-3H3;4-8H,9H2,1-3H3,(H,13,14);11H,4-10H2,1-3H3;4-8H,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,12,13);5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;7H2,1-6H3;7-8H2,1-6H3;1-6H3,(H,10,11);5-8H2,1-4H3;5-7H2,1-4H3
• InChIKey: SDBMDWNHXLWUKE-UHFFFAOYSA-N
• XLogP: 64.98
• TPSA: 308.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3505.65
LogP ≤ 5	64.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one?

The IUPAC name of N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one (CID 160801032) is N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one.

What is the SMILES notation for N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one?

The canonical SMILES for N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one is CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)C(=O)NCc1ccccc1.CC(C)(C)C(=O)c1cccc(C#N)c1.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(=O)c1ccncc1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCC1CCCCC1.CC(C)(C)CCCc1ccccc1.CC(C)(C)CCOCc1ccccc1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccc1F.CC(C)(C)NC(=O)C(C)(C)C.CC(CCC(C)(C)C)c1ccccc1.CCCCCC(C)(C)C.CCCCS(=O)(=O)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1.Cc1cc(C)cc(NC(=O)C(C)(C)C)c1.Cc1ccc(CCC(C)(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.

What is the InChIKey of N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one?

The InChIKey is SDBMDWNHXLWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H19NO.2C13H20O.2C13H20.C12H17F.C12H13NO.C12H17NO.C12H24.C12H18.C11H21NO.C11H16O2S.C11H14O.C10H13NO.C10H20O.C10H22.C9H19NO.C9H20.C8H18O2S/c1-12(10-11-14(2,3)4)13-8-6-5-7-9-13;1-9-6-10(2)8-11(7-9)14-12(15)13(3,4)5;1-13(2,3)10-9-11-5-7-12(14-4)8-6-11;1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;1-11-5-7-12(8-6-11)9-10-13(2,3)4;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-12(2,3)11(14)10-6-4-5-9(7-10)8-13;1-12(2,3)11(14)13-9-10-7-5-4-6-8-10;2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-9-5-7-10(8-6-9)14(12,13)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-4-6-11-7-5-8;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-8-10(4,5)6;1-8(2,3)7(11)10-9(4,5)6;1-5-6-7-8-9(2,3)4;1-5-6-7-11(9,10)8(2,3)4/h5-9,12H,10-11H2,1-4H3;6-8H,1-5H3,(H,14,15);5-8H,9-10H2,1-4H3;4-8H,9-11H2,1-3H3;5-8H,9-10H2,1-4H3;4-6,8-9H,7,10-11H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,1-3H3;4-8H,9H2,1-3H3,(H,13,14);11H,4-10H2,1-3H3;4-8H,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,12,13);5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;7H2,1-6H3;7-8H2,1-6H3;1-6H3,(H,10,11);5-8H2,1-4H3;5-7H2,1-4H3.

What are the key properties of N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one?

N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one has a molecular weight of 3505.65 g/mol, XLogP of 64.98, 37 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2,2-dimethylpropanamide;N-tert-butyl-2,2-dimethylpropanamide;1-tert-butylsulfonylbutane;1-tert-butylsulfonyl-4-methylbenzene;N-cyclohexyl-2,2-dimethylpropanamide;3,3-dimethylbutoxymethylbenzene;3,3-dimethylbutylbenzene;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;2,2-dimethylheptane;5,5-dimethylhexan-2-ylbenzene;4,4-dimethylpentylbenzene;N-(3,5-dimethylphenyl)-2,2-dimethylpropanamide;2,2-dimethyl-1-phenylpropan-1-one;3-(2,2-dimethylpropanoyl)benzonitrile;2,2-dimethyl-1-pyridin-4-ylpropan-1-one;2,2,5,5-tetramethylhexane;2,2,5,5-tetramethylhexan-3-one is sourced from PubChem (CID 160801032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).