2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C131H173N12O9+ — CID 158589207

IUPAC2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCN(CCCCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCCCCCCCCCCCCCCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C52H70N4O2.C41H54N4O3.C38H48N4O4/c53-49(57)51(43-27-17-13-18-28-43,44-29-19-14-20-30-44)47-35-39-55(41-47)37-25-11-9-7-5-3-1-2-4-6-8-10-12-26-38-56-40-36-48(42-56)52(50(54)58,45-31-21-15-22-32-45)46-33-23-16-24-34-46;1-43(30-31-45-38(46)36-24-16-17-25-37(36)39(45)47)27-18-8-6-4-2-3-5-7-9-19-28-44-29-26-35(32-44)41(40(42)48,33-20-12-10-13-21-33)34-22-14-11-15-23-34;1-42(2,29-15-13-25-41-36(43)33-19-8-9-20-34(33)37(41)44)28-14-4-3-12-24-40-26-22-31(23-27-40)46-38(45)39-35-21-11-10-18-32(35)30-16-6-5-7-17-30/h13-24,27-34,47-48H,1-12,25-26,35-42H2,(H2,53,57)(H2,54,58);10-17,20-25,35H,2-9,18-19,26-32H2,1H3,(H2,42,48);5-11,16-21,31H,3-4,12-15,22-29H2,1-2H3/p+1
InChIKeyYTAYSYGTUYWWLL-UHFFFAOYSA-O
MW2059.90 g/mol
LogP24.02
Rot. Bonds60

About 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 158589207) has the molecular formula C131H173N12O9+ and a molecular weight of 2059.90 g/mol. Its IUPAC name is 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID158589207
Molecular FormulaC131H173N12O9+
Molecular Weight2059.90 g/mol
Exact Mass2058.34
IUPAC Name2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCN(CCCCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCCCCCCCCCCCCCCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C52H70N4O2.C41H54N4O3.C38H48N4O4/c53-49(57)51(43-27-17-13-18-28-43,44-29-19-14-20-30-44)47-35-39-55(41-47)37-25-11-9-7-5-3-1-2-4-6-8-10-12-26-38-56-40-36-48(42-56)52(50(54)58,45-31-21-15-22-32-45)46-33-23-16-24-34-46;1-43(30-31-45-38(46)36-24-16-17-25-37(36)39(45)47)27-18-8-6-4-2-3-5-7-9-19-28-44-29-26-35(32-44)41(40(42)48,33-20-12-10-13-21-33)34-22-14-11-15-23-34;1-42(2,29-15-13-25-41-36(43)33-19-8-9-20-34(33)37(41)44)28-14-4-3-12-24-40-26-22-31(23-27-40)46-38(45)39-35-21-11-10-18-32(35)30-16-6-5-7-17-30/h13-24,27-34,47-48H,1-12,25-26,35-42H2,(H2,53,57)(H2,54,58);10-17,20-25,35H,2-9,18-19,26-32H2,1H3,(H2,42,48);5-11,16-21,31H,3-4,12-15,22-29H2,1-2H3/p+1
InChIKeyYTAYSYGTUYWWLL-UHFFFAOYSA-O
XLogP24.02
TPSA258.56 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds60
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.90
LogP ≤ 524.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'}

Analyze 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 158589207) is 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CN(CCCCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCCCCCCCCCCCCCCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is YTAYSYGTUYWWLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C52H70N4O2.C41H54N4O3.C38H48N4O4/c53-49(57)51(43-27-17-13-18-28-43,44-29-19-14-20-30-44)47-35-39-55(41-47)37-25-11-9-7-5-3-1-2-4-6-8-10-12-26-38-56-40-36-48(42-56)52(50(54)58,45-31-21-15-22-32-45)46-33-23-16-24-34-46;1-43(30-31-45-38(46)36-24-16-17-25-37(36)39(45)47)27-18-8-6-4-2-3-5-7-9-19-28-44-29-26-35(32-44)41(40(42)48,33-20-12-10-13-21-33)34-22-14-11-15-23-34;1-42(2,29-15-13-25-41-36(43)33-19-8-9-20-34(33)37(41)44)28-14-4-3-12-24-40-26-22-31(23-27-40)46-38(45)39-35-21-11-10-18-32(35)30-16-6-5-7-17-30/h13-24,27-34,47-48H,1-12,25-26,35-42H2,(H2,53,57)(H2,54,58);10-17,20-25,35H,2-9,18-19,26-32H2,1H3,(H2,42,48);5-11,16-21,31H,3-4,12-15,22-29H2,1-2H3/p+1.
What are the key properties of 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 2059.90 g/mol, XLogP of 24.02, 60 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[16-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]hexadecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[6-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]hexyl]azanium;2-[1-[12-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]dodecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 158589207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).