N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C115H178N12O12 — CID 159883603

About N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 159883603) has the molecular formula C115H178N12O12 and a molecular weight of 1920.76 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
• PubChem CID: 159883603
• Molecular Formula: C115H178N12O12
• Molecular Weight: 1920.76 g/mol
• Exact Mass: 1919.37
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
• SMILES: CN(C)CCN(C)C(=O)Cc1ccccc1C(=O)C(C)(C)C.CN(C)CCN(C)C(=O)[C@@H]1C2C=CC(C2)[C@@H]1C(=O)C(C)(C)C.CN(C)CCN(C)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CC1CCCN1C)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CCN1CCCC1)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CCN1CCCCC1)C(=O)c1ccccc1CC(=O)C(C)(C)C
• InChI: InChI=1S/C21H32N2O2.2C20H30N2O2.C18H30N2O2.2C18H28N2O2/c1-21(2,3)19(24)16-17-10-6-7-11-18(17)20(25)22(4)14-15-23-12-8-5-9-13-23;1-20(2,3)18(23)13-15-9-6-7-11-17(15)19(24)22(5)14-16-10-8-12-21(16)4;1-20(2,3)18(23)15-16-9-5-6-10-17(16)19(24)21(4)13-14-22-11-7-8-12-22;1-18(2,3)16(21)14-12-7-8-13(11-12)15(14)17(22)20(6)10-9-19(4)5;1-18(2,3)17(22)15-10-8-7-9-14(15)13-16(21)20(6)12-11-19(4)5;1-18(2,3)16(21)13-14-9-7-8-10-15(14)17(22)20(6)12-11-19(4)5/h6-7,10-11H,5,8-9,12-16H2,1-4H3;6-7,9,11,16H,8,10,12-14H2,1-5H3;5-6,9-10H,7-8,11-15H2,1-4H3;7-8,12-15H,9-11H2,1-6H3;2*7-10H,11-13H2,1-6H3/t;;;12?,13?,14-,15+;;/m...0../s1
• InChIKey: NTVRYIYEZHYVFQ-KWOWPYPCSA-N
• XLogP: 16.44
• TPSA: 243.72 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.76
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 159883603) is N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(C)CCN(C)C(=O)Cc1ccccc1C(=O)C(C)(C)C.CN(C)CCN(C)C(=O)[C@@H]1C2C=CC(C2)[C@@H]1C(=O)C(C)(C)C.CN(C)CCN(C)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CC1CCCN1C)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CCN1CCCC1)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CCN1CCCCC1)C(=O)c1ccccc1CC(=O)C(C)(C)C.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?

The InChIKey is NTVRYIYEZHYVFQ-KWOWPYPCSA-N. The full InChI is InChI=1S/C21H32N2O2.2C20H30N2O2.C18H30N2O2.2C18H28N2O2/c1-21(2,3)19(24)16-17-10-6-7-11-18(17)20(25)22(4)14-15-23-12-8-5-9-13-23;1-20(2,3)18(23)13-15-9-6-7-11-17(15)19(24)22(5)14-16-10-8-12-21(16)4;1-20(2,3)18(23)15-16-9-5-6-10-17(16)19(24)21(4)13-14-22-11-7-8-12-22;1-18(2,3)16(21)14-12-7-8-13(11-12)15(14)17(22)20(6)10-9-19(4)5;1-18(2,3)17(22)15-10-8-7-9-14(15)13-16(21)20(6)12-11-19(4)5;1-18(2,3)16(21)13-14-9-7-8-10-15(14)17(22)20(6)12-11-19(4)5/h6-7,10-11H,5,8-9,12-16H2,1-4H3;6-7,9,11,16H,8,10,12-14H2,1-5H3;5-6,9-10H,7-8,11-15H2,1-4H3;7-8,12-15H,9-11H2,1-6H3;2*7-10H,11-13H2,1-6H3/t;;;12?,13?,14-,15+;;/m...0../s1.

What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?

N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 1920.76 g/mol, XLogP of 16.44, 34 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)-N-methylbenzamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-(dimethylamino)ethyl]-2-[2-(2,2-dimethylpropanoyl)phenyl]-N-methylacetamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-piperidin-1-ylethyl)benzamide;2-(3,3-dimethyl-2-oxobutyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 159883603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).