N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione

C69H78N8O10 — CID 144964366

About N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione

N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione (PubChem CID 144964366) has the molecular formula C69H78N8O10 and a molecular weight of 1179.43 g/mol. Its IUPAC name is N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione.

Molecular Properties

• Compound Name: N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione
• PubChem CID: 144964366
• Molecular Formula: C69H78N8O10
• Molecular Weight: 1179.43 g/mol
• Exact Mass: 1178.58
• IUPAC Name: N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione
• SMILES: CC1OCCC(NC(=O)CCC(=O)NCCCCOc2cc(CN(Cc3ccccn3)Cc3ccccn3)cc(CN(Cc3ccccn3)Cc3ccccn3)c2)C1C.CCC(=O)C1Cc2c(cc3c(c2O)C(=O)c2cccc(OC)c2C3=O)C(O)C1
• InChI: InChI=1S/C47H58N8O4.C22H20O6/c1-36-37(2)58-26-19-45(36)53-47(57)18-17-46(56)52-24-11-12-25-59-44-28-38(30-54(32-40-13-3-7-20-48-40)33-41-14-4-8-21-49-41)27-39(29-44)31-55(34-42-15-5-9-22-50-42)35-43-16-6-10-23-51-43;1-3-15(23)10-7-13-12(16(24)8-10)9-14-19(21(13)26)20(25)11-5-4-6-17(28-2)18(11)22(14)27/h3-10,13-16,20-23,27-29,36-37,45H,11-12,17-19,24-26,30-35H2,1-2H3,(H,52,56)(H,53,57);4-6,9-10,16,24,26H,3,7-8H2,1-2H3
• InChIKey: TUBDHESTQQPBBZ-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 235.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1179.43
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione?

The IUPAC name of N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione (CID 144964366) is N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione.

What is the SMILES notation for N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione?

The canonical SMILES for N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione is CC1OCCC(NC(=O)CCC(=O)NCCCCOc2cc(CN(Cc3ccccn3)Cc3ccccn3)cc(CN(Cc3ccccn3)Cc3ccccn3)c2)C1C.CCC(=O)C1Cc2c(cc3c(c2O)C(=O)c2cccc(OC)c2C3=O)C(O)C1.

What is the InChIKey of N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione?

The InChIKey is TUBDHESTQQPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58N8O4.C22H20O6/c1-36-37(2)58-26-19-45(36)53-47(57)18-17-46(56)52-24-11-12-25-59-44-28-38(30-54(32-40-13-3-7-20-48-40)33-41-14-4-8-21-49-41)27-39(29-44)31-55(34-42-15-5-9-22-50-42)35-43-16-6-10-23-51-43;1-3-15(23)10-7-13-12(16(24)8-10)9-14-19(21(13)26)20(25)11-5-4-6-17(28-2)18(11)22(14)27/h3-10,13-16,20-23,27-29,36-37,45H,11-12,17-19,24-26,30-35H2,1-2H3,(H,52,56)(H,53,57);4-6,9-10,16,24,26H,3,7-8H2,1-2H3.

What are the key properties of N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione?

N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione has a molecular weight of 1179.43 g/mol, XLogP of 9.41, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]-N'-(2,3-dimethyloxan-4-yl)butanediamide;6,10-dihydroxy-1-methoxy-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione is sourced from PubChem (CID 144964366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).