bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one

C106H132BrN14O19Pd- — CID 158652110

IUPACbis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one
SMILESCOc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-].COc1c(N)cc(C(C)(C)C)cc1N1CCCC1=O.COc1c(N)cc(C(C)(C)C)cc1N1CCCC1=O.COc1c(N2CCCC2=O)cc(C(C)(C)C)cc1[N+](=O)[O-].COc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1N1CCCC1=O.Cn1c(C(=O)O)cc2cccc(Oc3ccncc3)c21.O=C1CCCN1.[CH3-].[Pd]
InChIInChI=1S/C30H32N4O4.C15H20N2O4.C15H12N2O3.2C15H22N2O2.C11H14BrNO3.C4H7NO.CH3.Pd/c1-30(2,3)20-17-22(28(37-5)23(18-20)34-15-7-10-26(34)35)32-29(36)24-16-19-8-6-9-25(27(19)33(24)4)38-21-11-13-31-14-12-21;1-15(2,3)10-8-11(16-7-5-6-13(16)18)14(21-4)12(9-10)17(19)20;1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11;2*1-15(2,3)10-8-11(16)14(19-4)12(9-10)17-7-5-6-13(17)18;1-11(2,3)7-5-8(12)10(16-4)9(6-7)13(14)15;6-4-2-1-3-5-4;;/h6,8-9,11-14,16-18H,7,10,15H2,1-5H3,(H,32,36);8-9H,5-7H2,1-4H3;2-9H,1H3,(H,18,19);2*8-9H,5-7,16H2,1-4H3;5-6H,1-4H3;1-3H2,(H,5,6);1H3;/q;;;;;;;-1;
InChIKeyAVZOZTMNWJAHAW-UHFFFAOYSA-N
MW2092.62 g/mol
LogP21.55
Rot. Bonds18

About bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one

bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one (PubChem CID 158652110) has the molecular formula C106H132BrN14O19Pd- and a molecular weight of 2092.62 g/mol. Its IUPAC name is bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one.

Molecular Properties

Compound Namebis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one
PubChem CID158652110
Molecular FormulaC106H132BrN14O19Pd-
Molecular Weight2092.62 g/mol
Exact Mass2089.80
IUPAC Namebis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one
SMILESCOc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-].COc1c(N)cc(C(C)(C)C)cc1N1CCCC1=O.COc1c(N)cc(C(C)(C)C)cc1N1CCCC1=O.COc1c(N2CCCC2=O)cc(C(C)(C)C)cc1[N+](=O)[O-].COc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1N1CCCC1=O.Cn1c(C(=O)O)cc2cccc(Oc3ccncc3)c21.O=C1CCCN1.[CH3-].[Pd]
InChIInChI=1S/C30H32N4O4.C15H20N2O4.C15H12N2O3.2C15H22N2O2.C11H14BrNO3.C4H7NO.CH3.Pd/c1-30(2,3)20-17-22(28(37-5)23(18-20)34-15-7-10-26(34)35)32-29(36)24-16-19-8-6-9-25(27(19)33(24)4)38-21-11-13-31-14-12-21;1-15(2,3)10-8-11(16-7-5-6-13(16)18)14(21-4)12(9-10)17(19)20;1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11;2*1-15(2,3)10-8-11(16)14(19-4)12(9-10)17-7-5-6-13(17)18;1-11(2,3)7-5-8(12)10(16-4)9(6-7)13(14)15;6-4-2-1-3-5-4;;/h6,8-9,11-14,16-18H,7,10,15H2,1-5H3,(H,32,36);8-9H,5-7H2,1-4H3;2-9H,1H3,(H,18,19);2*8-9H,5-7,16H2,1-4H3;5-6H,1-4H3;1-3H2,(H,5,6);1H3;/q;;;;;;;-1;
InChIKeyAVZOZTMNWJAHAW-UHFFFAOYSA-N
XLogP21.55
TPSA415.31 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.62
LogP ≤ 521.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one with MolForge

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Related Compounds

bis(3-amino-5-tert-butyl-1-methylpyridin-2-one);5-tert-butyl-1-methyl-3-nitropyridin-2-one;N-(5-tert-butyl-1-methyl-2-oxo-3-pyridinyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;deuterium monohydride;ethyl 2-nitroacetate;(2Z)-2-(hydroxymethylidene)-3,3-dimethylbutanal;methanamine;methane;N-methyl-2-nitroacetamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen;pyrrolidine
CID 157976483
bis(3-amino-5-tert-butyl-1-methylpyridin-2-one);5-tert-butyl-1-methyl-3-nitropyridin-2-one;N-(5-tert-butyl-1-methyl-2-oxo-3-pyridinyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;deuterium monohydride;ethyl 2-nitroacetate;(2Z)-2-(hydroxymethylidene)-3,3-dimethylbutanal;methanamine;N-methyl-2-nitroacetamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen;pyrrolidine
CID 158377552
bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)azetidin-2-one);azetidin-2-one;2-bromo-4-tert-butyl-1-methoxybenzene;1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)azetidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxoazetidin-1-yl)phenyl]-7-pyridin-4-yloxy-1H-indole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;nitric acid;palladium
CID 160011640

Frequently Asked Questions

What is the IUPAC name of bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one?
The IUPAC name of bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one (CID 158652110) is bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one.
What is the SMILES notation for bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one?
The canonical SMILES for bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one is COc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-].COc1c(N)cc(C(C)(C)C)cc1N1CCCC1=O.COc1c(N)cc(C(C)(C)C)cc1N1CCCC1=O.COc1c(N2CCCC2=O)cc(C(C)(C)C)cc1[N+](=O)[O-].COc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1N1CCCC1=O.Cn1c(C(=O)O)cc2cccc(Oc3ccncc3)c21.O=C1CCCN1.[CH3-].[Pd].
What is the InChIKey of bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one?
The InChIKey is AVZOZTMNWJAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4.C15H20N2O4.C15H12N2O3.2C15H22N2O2.C11H14BrNO3.C4H7NO.CH3.Pd/c1-30(2,3)20-17-22(28(37-5)23(18-20)34-15-7-10-26(34)35)32-29(36)24-16-19-8-6-9-25(27(19)33(24)4)38-21-11-13-31-14-12-21;1-15(2,3)10-8-11(16-7-5-6-13(16)18)14(21-4)12(9-10)17(19)20;1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11;2*1-15(2,3)10-8-11(16)14(19-4)12(9-10)17-7-5-6-13(17)18;1-11(2,3)7-5-8(12)10(16-4)9(6-7)13(14)15;6-4-2-1-3-5-4;;/h6,8-9,11-14,16-18H,7,10,15H2,1-5H3,(H,32,36);8-9H,5-7H2,1-4H3;2-9H,1H3,(H,18,19);2*8-9H,5-7,16H2,1-4H3;5-6H,1-4H3;1-3H2,(H,5,6);1H3;/q;;;;;;;-1;.
What are the key properties of bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one?
bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one has a molecular weight of 2092.62 g/mol, XLogP of 21.55, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(3-amino-5-tert-butyl-2-methoxyphenyl)pyrrolidin-2-one);1-bromo-5-tert-butyl-2-methoxy-3-nitrobenzene;1-(5-tert-butyl-2-methoxy-3-nitrophenyl)pyrrolidin-2-one;N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;carbanide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;palladium;pyrrolidin-2-one is sourced from PubChem (CID 158652110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).