4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide

C84H100N14O17 — CID 160518776

About 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide

4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide (PubChem CID 160518776) has the molecular formula C84H100N14O17 and a molecular weight of 1577.80 g/mol. Its IUPAC name is 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide.

Molecular Properties

• Compound Name: 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
• PubChem CID: 160518776
• Molecular Formula: C84H100N14O17
• Molecular Weight: 1577.80 g/mol
• Exact Mass: 1576.74
• IUPAC Name: 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OCC(=O)NCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1CN(C)C.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OCC(=O)O)c1CN(C)C.NCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C42H49N7O8.C21H28N4O4.C21H23N3O5/c1-47(2)23-31-34(56-4)20-26(30-24-48(3)40(53)29-22-43-19-16-27(29)30)21-35(31)57-25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52;22-12-5-3-1-2-4-6-13-23-15-9-7-8-14-18(15)21(29)25(20(14)28)16-10-11-17(26)24-19(16)27;1-23(2)10-17-18(28-4)7-13(8-19(17)29-12-20(25)26)16-11-24(3)21(27)15-9-22-6-5-14(15)16/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52);7-9,16,23H,1-6,10-13,22H2,(H,24,26,27);5-9,11H,10,12H2,1-4H3,(H,25,26)
• InChIKey: QTZOURBSJDCBML-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 396.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1577.80
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?

The IUPAC name of 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide (CID 160518776) is 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide.

What is the SMILES notation for 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?

The canonical SMILES for 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OCC(=O)NCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1CN(C)C.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OCC(=O)O)c1CN(C)C.NCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?

The InChIKey is QTZOURBSJDCBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H49N7O8.C21H28N4O4.C21H23N3O5/c1-47(2)23-31-34(56-4)20-26(30-24-48(3)40(53)29-22-43-19-16-27(29)30)21-35(31)57-25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52;22-12-5-3-1-2-4-6-13-23-15-9-7-8-14-18(15)21(29)25(20(14)28)16-10-11-17(26)24-19(16)27;1-23(2)10-17-18(28-4)7-13(8-19(17)29-12-20(25)26)16-11-24(3)21(27)15-9-22-6-5-14(15)16/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52);7-9,16,23H,1-6,10-13,22H2,(H,24,26,27);5-9,11H,10,12H2,1-4H3,(H,25,26).

What are the key properties of 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?

4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide has a molecular weight of 1577.80 g/mol, XLogP of 7.95, 35 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide is sourced from PubChem (CID 160518776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).