2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C160H214N14O12+2 — CID 157092933

About 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 157092933) has the molecular formula C160H214N14O12+2 and a molecular weight of 2525.56 g/mol. Its IUPAC name is 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• PubChem CID: 157092933
• Molecular Formula: C160H214N14O12+2
• Molecular Weight: 2525.56 g/mol
• Exact Mass: 2523.66
• IUPAC Name: 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• SMILES: COc1cccc(CN(C)CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)c1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCCCCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)C1
• InChI: InChI=1S/C47H71N3O4.C42H56N4O4.C42H50N4O2.C29H35N3O2/c1-50(2,38-24-12-13-25-39-53-40-43-30-20-21-31-45(43)52-3)37-23-11-9-7-5-4-6-8-10-22-34-49-35-32-44(33-36-49)54-47(51)48-46(41-26-16-14-17-27-41)42-28-18-15-19-29-42;1-46(2,33-19-29-45-40(47)37-24-15-16-25-38(37)41(45)48)32-18-8-6-4-3-5-7-17-28-44-30-26-36(27-31-44)50-42(49)43-39(34-20-11-9-12-21-34)35-22-13-10-14-23-35;43-39(47)41(33-17-7-3-8-18-33,34-19-9-4-10-20-34)37-25-29-45(31-37)27-15-1-2-16-28-46-30-26-38(32-46)42(40(44)48,35-21-11-5-12-22-35)36-23-13-6-14-24-36;1-31(21-23-10-9-15-27(20-23)34-2)18-19-32-17-16-26(22-32)29(28(30)33,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h14-21,26-31,44,46H,4-13,22-25,32-40H2,1-3H3;9-16,20-25,36,39H,3-8,17-19,26-33H2,1-2H3;3-14,17-24,37-38H,1-2,15-16,25-32H2,(H2,43,47)(H2,44,48);3-15,20,26H,16-19,21-22H2,1-2H3,(H2,30,33)/p+2/t;;;26-/m...1/s1
• InChIKey: VUKHKZYDQGPWCB-NFCSSBLYSA-P
• XLogP: 28.63
• TPSA: 290.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 71
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.56
LogP ≤ 5	28.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The IUPAC name of 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 157092933) is 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

What is the SMILES notation for 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The canonical SMILES for 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is COc1cccc(CN(C)CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)c1.COc1ccccc1COCCCCCC[N+](C)(C)CCCCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCCCCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)C1.

What is the InChIKey of 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The InChIKey is VUKHKZYDQGPWCB-NFCSSBLYSA-P. The full InChI is InChI=1S/C47H71N3O4.C42H56N4O4.C42H50N4O2.C29H35N3O2/c1-50(2,38-24-12-13-25-39-53-40-43-30-20-21-31-45(43)52-3)37-23-11-9-7-5-4-6-8-10-22-34-49-35-32-44(33-36-49)54-47(51)48-46(41-26-16-14-17-27-41)42-28-18-15-19-29-42;1-46(2,33-19-29-45-40(47)37-24-15-16-25-38(37)41(45)48)32-18-8-6-4-3-5-7-17-28-44-30-26-36(27-31-44)50-42(49)43-39(34-20-11-9-12-21-34)35-22-13-10-14-23-35;43-39(47)41(33-17-7-3-8-18-33,34-19-9-4-10-20-34)37-25-29-45(31-37)27-15-1-2-16-28-46-30-26-38(32-46)42(40(44)48,35-21-11-5-12-22-35)36-23-13-6-14-24-36;1-31(21-23-10-9-15-27(20-23)34-2)18-19-32-17-16-26(22-32)29(28(30)33,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h14-21,26-31,44,46H,4-13,22-25,32-40H2,1-3H3;9-16,20-25,36,39H,3-8,17-19,26-33H2,1-2H3;3-14,17-24,37-38H,1-2,15-16,25-32H2,(H2,43,47)(H2,44,48);3-15,20,26H,16-19,21-22H2,1-2H3,(H2,30,33)/p+2/t;;;26-/m...1/s1.

What are the key properties of 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 2525.56 g/mol, XLogP of 28.63, 71 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[6-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;10-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]decyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium;12-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]dodecyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium;2-[(3S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 157092933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).