cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

C117H198N12O12 — CID 167621581

About cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 167621581) has the molecular formula C117H198N12O12 and a molecular weight of 1964.94 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
• PubChem CID: 167621581
• Molecular Formula: C117H198N12O12
• Molecular Weight: 1964.94 g/mol
• Exact Mass: 1963.53
• IUPAC Name: cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
• SMILES: CC(C)N1CCC[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(CCN1CCCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.CN(CCN1CCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.CN(Cc1ccccn1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.CN(Cc1ccccn1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
• InChI: InChI=1S/C21H38N2O2.C20H36N2O2.2C19H28N2O2.2C19H34N2O2/c1-15(2)23-13-9-10-16(23)14-22(6)20(25)18-12-8-7-11-17(18)19(24)21(3,4)5;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*1-19(2,3)17(22)15-10-5-6-11-16(15)18(23)21(4)13-14-9-7-8-12-20-14;2*1-19(2,3)17(22)15-9-5-6-10-16(15)18(23)20(4)13-14-21-11-7-8-12-21/h15-18H,7-14H2,1-6H3;15-17H,6-14H2,1-5H3;2*7-9,12,15-16H,5-6,10-11,13H2,1-4H3;2*15-16H,5-14H2,1-4H3/t16-,17+,18-;15-,16+,17-;4*15-,16+/m011010/s1
• InChIKey: MNAVBJIDSZFCDD-XGEFSZTGSA-N
• XLogP: 19.94
• TPSA: 263.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.94
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (CID 167621581) is cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is CC(C)N1CCC[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(CCN1CCCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.CN(CCN1CCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.CN(Cc1ccccn1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.CN(Cc1ccccn1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.

What is the InChIKey of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?

The InChIKey is MNAVBJIDSZFCDD-XGEFSZTGSA-N. The full InChI is InChI=1S/C21H38N2O2.C20H36N2O2.2C19H28N2O2.2C19H34N2O2/c1-15(2)23-13-9-10-16(23)14-22(6)20(25)18-12-8-7-11-17(18)19(24)21(3,4)5;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*1-19(2,3)17(22)15-10-5-6-11-16(15)18(23)21(4)13-14-9-7-8-12-20-14;2*1-19(2,3)17(22)15-9-5-6-10-16(15)18(23)20(4)13-14-21-11-7-8-12-21/h15-18H,7-14H2,1-6H3;15-17H,6-14H2,1-5H3;2*7-9,12,15-16H,5-6,10-11,13H2,1-4H3;2*15-16H,5-14H2,1-4H3/t16-,17+,18-;15-,16+,17-;4*15-,16+/m011010/s1.

What are the key properties of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?

cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 1964.94 g/mol, XLogP of 19.94, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 167621581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).