cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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

C117H194N12O12 — CID 157444665

About cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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

cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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 (PubChem CID 157444665) has the molecular formula C117H194N12O12 and a molecular weight of 1960.91 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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.

Molecular Properties

• Compound Name: cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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
• PubChem CID: 157444665
• Molecular Formula: C117H194N12O12
• Molecular Weight: 1960.91 g/mol
• Exact Mass: 1959.49
• IUPAC Name: cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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
• SMILES: CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=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)[C@H]1C2C=CC(C2)[C@H]1C(=O)C(C)(C)C.CN(CC1CCCN1C)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CCN1CCCCC1)C(=O)c1ccccc1CC(=O)C(C)(C)C
• InChI: InChI=1S/C21H32N2O2.C20H30N2O2.2C20H36N2O2.2C18H30N2O2/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;2*1-6-22-13-9-10-15(22)14-21(5)19(24)17-12-8-7-11-16(17)18(23)20(2,3)4;2*1-18(2,3)16(21)14-12-7-8-13(11-12)15(14)17(22)20(6)10-9-19(4)5/h6-7,10-11H,5,8-9,12-16H2,1-4H3;6-7,9,11,16H,8,10,12-14H2,1-5H3;2*15-17H,6-14H2,1-5H3;2*7-8,12-15H,9-11H2,1-6H3/t;;15-,16+,17-;15-,16-,17+;2*12?,13?,14-,15+/m..0110/s1
• InChIKey: BSBSPCSAPUPUAA-XDCDWPGTSA-N
• XLogP: 17.23
• TPSA: 243.72 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.91
LogP ≤ 5	17.23
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 cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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?

The IUPAC name of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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 (CID 157444665) is cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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.

What is the SMILES notation for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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?

The canonical SMILES for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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 is CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=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)[C@H]1C2C=CC(C2)[C@H]1C(=O)C(C)(C)C.CN(CC1CCCN1C)C(=O)c1ccccc1CC(=O)C(C)(C)C.CN(CCN1CCCCC1)C(=O)c1ccccc1CC(=O)C(C)(C)C.

What is the InChIKey of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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?

The InChIKey is BSBSPCSAPUPUAA-XDCDWPGTSA-N. The full InChI is InChI=1S/C21H32N2O2.C20H30N2O2.2C20H36N2O2.2C18H30N2O2/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;2*1-6-22-13-9-10-15(22)14-21(5)19(24)17-12-8-7-11-16(17)18(23)20(2,3)4;2*1-18(2,3)16(21)14-12-7-8-13(11-12)15(14)17(22)20(6)10-9-19(4)5/h6-7,10-11H,5,8-9,12-16H2,1-4H3;6-7,9,11,16H,8,10,12-14H2,1-5H3;2*15-17H,6-14H2,1-5H3;2*7-8,12-15H,9-11H2,1-6H3/t;;15-,16+,17-;15-,16-,17+;2*12?,13?,14-,15+/m..0110/s1.

What are the key properties of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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?

cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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 has a molecular weight of 1960.91 g/mol, XLogP of 17.23, 31 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;(2S,3R)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;(2R,3S)-N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;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 is sourced from PubChem (CID 157444665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).