tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium

C95H118N11O19+ — CID 159247972

IUPACtert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium
SMILESC.C=[O+]c1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CNCC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CCCC(=O)NCCCCCCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C43H49N5O8.C27H37N3O6.C24H28N3O5.CH4/c1-47-26-33(29-20-22-44-25-32(29)41(47)52)28-23-35(55-2)30(36(24-28)56-3)15-12-17-37(49)45-21-10-8-6-4-5-7-9-13-27-14-11-16-31-39(27)43(54)48(42(31)53)34-18-19-38(50)46-40(34)51;1-27(2,3)36-22(32)14-9-7-5-4-6-8-10-17-28-19-13-11-12-18-23(19)26(35)30(25(18)34)20-15-16-21(31)29-24(20)33;1-24(2,3)32-22(28)13-26-12-18-20(30-5)9-15(10-21(18)31-6)19-14-27(4)23(29)17-11-25-8-7-16(17)19;/h11,14,16,20,22-26,34H,4-10,12-13,15,17-19,21H2,1-3H3,(H,45,49)(H,46,50,51);11-13,20,28H,4-10,14-17H2,1-3H3,(H,29,31,33);7-11,14,26H,5,12-13H2,1-4,6H3;1H4/q;;+1;
InChIKeyKUXNXXHLRYAMAF-UHFFFAOYSA-N
MW1718.05 g/mol
LogP13.15
Rot. Bonds37

About tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium

tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium (PubChem CID 159247972) has the molecular formula C95H118N11O19+ and a molecular weight of 1718.05 g/mol. Its IUPAC name is tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium.

Molecular Properties

Compound Nametert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium
PubChem CID159247972
Molecular FormulaC95H118N11O19+
Molecular Weight1718.05 g/mol
Exact Mass1716.86
IUPAC Nametert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium
SMILESC.C=[O+]c1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CNCC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CCCC(=O)NCCCCCCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C43H49N5O8.C27H37N3O6.C24H28N3O5.CH4/c1-47-26-33(29-20-22-44-25-32(29)41(47)52)28-23-35(55-2)30(36(24-28)56-3)15-12-17-37(49)45-21-10-8-6-4-5-7-9-13-27-14-11-16-31-39(27)43(54)48(42(31)53)34-18-19-38(50)46-40(34)51;1-27(2,3)36-22(32)14-9-7-5-4-6-8-10-17-28-19-13-11-12-18-23(19)26(35)30(25(18)34)20-15-16-21(31)29-24(20)33;1-24(2,3)32-22(28)13-26-12-18-20(30-5)9-15(10-21(18)31-6)19-14-27(4)23(29)17-11-25-8-7-16(17)19;/h11,14,16,20,22-26,34H,4-10,12-13,15,17-19,21H2,1-3H3,(H,45,49)(H,46,50,51);11-13,20,28H,4-10,14-17H2,1-3H3,(H,29,31,33);7-11,14,26H,5,12-13H2,1-4,6H3;1H4/q;;+1;
InChIKeyKUXNXXHLRYAMAF-UHFFFAOYSA-N
XLogP13.15
TPSA381.63 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001718.05
LogP ≤ 513.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium with MolForge

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Related Compounds

2-((2,6-Dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)benzyl)(methyl)amino)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)acetamide
CID 139370810
2-((2,6-Dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)benzyl)(methyl)amino)-N-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethyl)acetamide
CID 135397681
2-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 156018244
3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154672342
4-[[[2,6-Dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 139370813
N-[8-[2-([[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl](methyl)amino)acetamido]octyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy]acetamide
CID 139370823
2-((2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)benzyl)(methyl)amino)-N-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)amino)ethoxy)ethoxy)ethyl)-N-methylacetamide
CID 139370898
N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy]-N-methylpropanamide
CID 139371127
2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide
CID 139371164
N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy]-N-methylbutanamide
CID 139371172
2-(2,3-dimethoxy-5-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)phenoxy)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)acetamide
CID 139371192
2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-N-methylacetamide
CID 139371218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium?
The IUPAC name of tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium (CID 159247972) is tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium.
What is the SMILES notation for tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium?
The canonical SMILES for tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium is C.C=[O+]c1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CNCC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CCCC(=O)NCCCCCCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium?
The InChIKey is KUXNXXHLRYAMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N5O8.C27H37N3O6.C24H28N3O5.CH4/c1-47-26-33(29-20-22-44-25-32(29)41(47)52)28-23-35(55-2)30(36(24-28)56-3)15-12-17-37(49)45-21-10-8-6-4-5-7-9-13-27-14-11-16-31-39(27)43(54)48(42(31)53)34-18-19-38(50)46-40(34)51;1-27(2,3)36-22(32)14-9-7-5-4-6-8-10-17-28-19-13-11-12-18-23(19)26(35)30(25(18)34)20-15-16-21(31)29-24(20)33;1-24(2,3)32-22(28)13-26-12-18-20(30-5)9-15(10-21(18)31-6)19-14-27(4)23(29)17-11-25-8-7-16(17)19;/h11,14,16,20,22-26,34H,4-10,12-13,15,17-19,21H2,1-3H3,(H,45,49)(H,46,50,51);11-13,20,28H,4-10,14-17H2,1-3H3,(H,29,31,33);7-11,14,26H,5,12-13H2,1-4,6H3;1H4/q;;+1;.
What are the key properties of tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium?
tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium has a molecular weight of 1718.05 g/mol, XLogP of 13.15, 37 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoate;4-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]butanamide;methane;[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]-methylideneoxidanium is sourced from PubChem (CID 159247972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).