2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C174H208N16O17+2 — CID 158508570

About 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 158508570) has the molecular formula C174H208N16O17+2 and a molecular weight of 2795.67 g/mol. Its IUPAC name is 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 158508570
• Molecular Formula: C174H208N16O17+2
• Molecular Weight: 2795.67 g/mol
• Exact Mass: 2793.59
• IUPAC Name: 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: COc1ccccc1COCCCCCC[N+](C)(C)CCOCCOCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)CCN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)c1ccccc1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccc(-c3ccc(CN4CCC(OC(=O)Nc5ccccc5-c5ccccc5)CC4)cc3)cc2)CC1
• InChI: InChI=1S/C50H50N4O4.C42H49N5O3.C42H50N4O4.C40H57N3O6/c55-49(51-47-17-9-7-15-45(47)41-11-3-1-4-12-41)57-43-27-31-53(32-28-43)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-54-33-29-44(30-34-54)58-50(56)52-48-18-10-8-16-46(48)42-13-5-2-6-14-42;1-47(2,30-15-14-25-46-39(48)37-22-12-13-23-38(37)40(46)49)31-29-45(36-20-10-5-11-21-36)28-27-44-26-24-35(32-44)42(41(43)50,33-16-6-3-7-17-33)34-18-8-4-9-19-34;47-41(43-39-21-11-9-19-37(39)33-15-5-3-6-16-33)49-35-23-29-45(30-24-35)27-13-1-2-14-28-46-31-25-36(26-32-46)50-42(48)44-40-22-12-10-20-38(40)34-17-7-4-8-18-34;1-43(2,26-13-4-5-14-28-48-33-35-17-9-12-20-39(35)45-3)27-30-47-32-31-46-29-25-42-23-21-36(22-24-42)49-40(44)41-38-19-11-10-18-37(38)34-15-7-6-8-16-34/h1-26,43-44H,27-36H2,(H,51,55)(H,52,56);3-13,16-23,35H,14-15,24-32H2,1-2H3,(H-,43,50);3-12,15-22,35-36H,1-2,13-14,23-32H2,(H,43,47)(H,44,48);6-12,15-20,36H,4-5,13-14,21-33H2,1-3H3/p+2
• InChIKey: YCHBTXKAVVDANA-UHFFFAOYSA-P
• XLogP: 33.12
• TPSA: 331.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 62
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2795.67
LogP ≤ 5	33.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 158508570) is 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is COc1ccccc1COCCCCCC[N+](C)(C)CCOCCOCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCN1C(=O)c2ccccc2C1=O)CCN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)c1ccccc1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccc(-c3ccc(CN4CCC(OC(=O)Nc5ccccc5-c5ccccc5)CC4)cc3)cc2)CC1.

What is the InChIKey of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is YCHBTXKAVVDANA-UHFFFAOYSA-P. The full InChI is InChI=1S/C50H50N4O4.C42H49N5O3.C42H50N4O4.C40H57N3O6/c55-49(51-47-17-9-7-15-45(47)41-11-3-1-4-12-41)57-43-27-31-53(32-28-43)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-54-33-29-44(30-34-54)58-50(56)52-48-18-10-8-16-46(48)42-13-5-2-6-14-42;1-47(2,30-15-14-25-46-39(48)37-22-12-13-23-38(37)40(46)49)31-29-45(36-20-10-5-11-21-36)28-27-44-26-24-35(32-44)42(41(43)50,33-16-6-3-7-17-33)34-18-8-4-9-19-34;47-41(43-39-21-11-9-19-37(39)33-15-5-3-6-16-33)49-35-23-29-45(30-24-35)27-13-1-2-14-28-46-31-25-36(26-32-46)50-42(48)44-40-22-12-10-20-38(40)34-17-7-4-8-18-34;1-43(2,26-13-4-5-14-28-48-33-35-17-9-12-20-39(35)45-3)27-30-47-32-31-46-29-25-42-23-21-36(22-24-42)49-40(44)41-38-19-11-10-18-37(38)34-15-7-6-8-16-34/h1-26,43-44H,27-36H2,(H,51,55)(H,52,56);3-13,16-23,35H,14-15,24-32H2,1-2H3,(H-,43,50);3-12,15-22,35-36H,1-2,13-14,23-32H2,(H,43,47)(H,44,48);6-12,15-20,36H,4-5,13-14,21-33H2,1-3H3/p+2.

What are the key properties of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2795.67 g/mol, XLogP of 33.12, 62 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]anilino]ethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;6-[(2-methoxyphenyl)methoxy]hexyl-dimethyl-[2-[2-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethoxy]ethoxy]ethyl]azanium;[1-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[[4-[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]phenyl]methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 158508570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).