2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium

C113H154N12O10+2 — CID 159515009

IUPAC2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium
SMILESCN(C)CCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1CCCCCCCC[N+](C)(C)CCN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)c1ccc(CCCC(=O)O)cc1.C[N+](C)(CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C49H66N4O4.C39H50N4O4.C25H36N4O2/c1-53(2,37-17-7-5-4-6-10-20-41-21-15-16-26-46(41)57-3)38-36-52(45-30-28-40(29-31-45)19-18-27-47(54)55)35-34-51-33-32-44(39-51)49(48(50)56,42-22-11-8-12-23-42)43-24-13-9-14-25-43;1-43(2,30-16-14-26-42-37(44)34-20-9-10-21-35(34)38(42)45)29-15-5-3-4-13-25-41-27-23-32(24-28-41)47-39(46)40-36-22-12-11-19-33(36)31-17-7-6-8-18-31;1-27(2)17-18-28(3)19-20-29-15-13-22(14-16-29)31-25(30)26-24-12-8-7-11-23(24)21-9-5-4-6-10-21/h8-9,11-16,21-26,28-31,44H,4-7,10,17-20,27,32-39H2,1-3H3,(H2-,50,54,55,56);6-12,17-22,32H,3-5,13-16,23-30H2,1-2H3;4-12,22H,13-20H2,1-3H3,(H,26,30)/p+2
InChIKeySJIPYUDLSSIAAZ-UHFFFAOYSA-P
MW1840.55 g/mol
LogP19.69
Rot. Bonds50

About 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium

2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium (PubChem CID 159515009) has the molecular formula C113H154N12O10+2 and a molecular weight of 1840.55 g/mol. Its IUPAC name is 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium.

Molecular Properties

Compound Name2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium
PubChem CID159515009
Molecular FormulaC113H154N12O10+2
Molecular Weight1840.55 g/mol
Exact Mass1839.19
IUPAC Name2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium
SMILESCN(C)CCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1CCCCCCCC[N+](C)(C)CCN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)c1ccc(CCCC(=O)O)cc1.C[N+](C)(CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C49H66N4O4.C39H50N4O4.C25H36N4O2/c1-53(2,37-17-7-5-4-6-10-20-41-21-15-16-26-46(41)57-3)38-36-52(45-30-28-40(29-31-45)19-18-27-47(54)55)35-34-51-33-32-44(39-51)49(48(50)56,42-22-11-8-12-23-42)43-24-13-9-14-25-43;1-43(2,30-16-14-26-42-37(44)34-20-9-10-21-35(34)38(42)45)29-15-5-3-4-13-25-41-27-23-32(24-28-41)47-39(46)40-36-22-12-11-19-33(36)31-17-7-6-8-18-31;1-27(2)17-18-28(3)19-20-29-15-13-22(14-16-29)31-25(30)26-24-12-8-7-11-23(24)21-9-5-4-6-10-21/h8-9,11-16,21-26,28-31,44H,4-7,10,17-20,27,32-39H2,1-3H3,(H2-,50,54,55,56);6-12,17-22,32H,3-5,13-16,23-30H2,1-2H3;4-12,22H,13-20H2,1-3H3,(H,26,30)/p+2
InChIKeySJIPYUDLSSIAAZ-UHFFFAOYSA-P
XLogP19.69
TPSA223.10 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds50
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.55
LogP ≤ 519.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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'}

Analyze 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium?
The IUPAC name of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium (CID 159515009) is 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium.
What is the SMILES notation for 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium?
The canonical SMILES for 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium is CN(C)CCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.COc1ccccc1CCCCCCCC[N+](C)(C)CCN(CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)c1ccc(CCCC(=O)O)cc1.C[N+](C)(CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium?
The InChIKey is SJIPYUDLSSIAAZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C49H66N4O4.C39H50N4O4.C25H36N4O2/c1-53(2,37-17-7-5-4-6-10-20-41-21-15-16-26-46(41)57-3)38-36-52(45-30-28-40(29-31-45)19-18-27-47(54)55)35-34-51-33-32-44(39-51)49(48(50)56,42-22-11-8-12-23-42)43-24-13-9-14-25-43;1-43(2,30-16-14-26-42-37(44)34-20-9-10-21-35(34)38(42)45)29-15-5-3-4-13-25-41-27-23-32(24-28-41)47-39(46)40-36-22-12-11-19-33(36)31-17-7-6-8-18-31;1-27(2)17-18-28(3)19-20-29-15-13-22(14-16-29)31-25(30)26-24-12-8-7-11-23(24)21-9-5-4-6-10-21/h8-9,11-16,21-26,28-31,44H,4-7,10,17-20,27,32-39H2,1-3H3,(H2-,50,54,55,56);6-12,17-22,32H,3-5,13-16,23-30H2,1-2H3;4-12,22H,13-20H2,1-3H3,(H,26,30)/p+2.
What are the key properties of 2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium?
2-[N-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium has a molecular weight of 1840.55 g/mol, XLogP of 19.69, 50 rotatable bonds, 4 hydrogen bond donors, and 15 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]-4-(3-carboxypropyl)anilino]ethyl-[8-(2-methoxyphenyl)octyl]-dimethylazanium;[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[7-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]heptyl]azanium is sourced from PubChem (CID 159515009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).