2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

C66H98Cl2N6O5 — CID 158066971

About 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 158066971) has the molecular formula C66H98Cl2N6O5 and a molecular weight of 1126.45 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
• PubChem CID: 158066971
• Molecular Formula: C66H98Cl2N6O5
• Molecular Weight: 1126.45 g/mol
• Exact Mass: 1124.70
• IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
• SMILES: CC.CC1COC2(CCC(N(C)C(=O)Cc3ccccc3)C(N3CCCC3)C2)C1.CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCCC1.CN(C(=O)Cc1ccccc1)C1CCC2(CCCO2)CC1N1CCCC1
• InChI: InChI=1S/C23H34N2O2.C22H32N2O2.C19H26Cl2N2O.C2H6/c1-18-15-23(27-17-18)11-10-20(21(16-23)25-12-6-7-13-25)24(2)22(26)14-19-8-4-3-5-9-19;1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24;1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;1-2/h3-5,8-9,18,20-21H,6-7,10-17H2,1-2H3;2-4,8-9,19-20H,5-7,10-17H2,1H3;8-9,12,17-18H,2-7,10-11,13H2,1H3;1-2H3
• InChIKey: FLIRHENKJAKFOJ-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 89.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.45
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?

The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (CID 158066971) is 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.

What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?

The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is CC.CC1COC2(CCC(N(C)C(=O)Cc3ccccc3)C(N3CCCC3)C2)C1.CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCCC1.CN(C(=O)Cc1ccccc1)C1CCC2(CCCO2)CC1N1CCCC1.

What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?

The InChIKey is FLIRHENKJAKFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2.C22H32N2O2.C19H26Cl2N2O.C2H6/c1-18-15-23(27-17-18)11-10-20(21(16-23)25-12-6-7-13-25)24(2)22(26)14-19-8-4-3-5-9-19;1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24;1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;1-2/h3-5,8-9,18,20-21H,6-7,10-17H2,1-2H3;2-4,8-9,19-20H,5-7,10-17H2,1H3;8-9,12,17-18H,2-7,10-11,13H2,1H3;1-2H3.

What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 1126.45 g/mol, XLogP of 12.18, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 158066971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).