10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione

C30H59N3O6 — CID 23547777

About 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione

10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione (PubChem CID 23547777) has the molecular formula C30H59N3O6 and a molecular weight of 557.82 g/mol. Its IUPAC name is 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione.

Molecular Properties

• Compound Name: 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
• PubChem CID: 23547777
• Molecular Formula: C30H59N3O6
• Molecular Weight: 557.82 g/mol
• Exact Mass: 557.44
• IUPAC Name: 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione
• SMILES: CCC1OC(=O)C(C)C(=O)C(C)C(C)C(C)(OCCNCCCN(C)C)CC(C)CN(C)C(C)C(O)C1(C)O
• InChI: InChI=1S/C30H59N3O6/c1-12-25-30(8,37)27(35)24(6)33(11)19-20(2)18-29(7,38-17-15-31-14-13-16-32(9)10)23(5)21(3)26(34)22(4)28(36)39-25/h20-25,27,31,35,37H,12-19H2,1-11H3
• InChIKey: VBMNYUVSPWSITE-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 111.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.82
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?

The IUPAC name of 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione (CID 23547777) is 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione.

What is the SMILES notation for 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?

The canonical SMILES for 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione is CCC1OC(=O)C(C)C(=O)C(C)C(C)C(C)(OCCNCCCN(C)C)CC(C)CN(C)C(C)C(O)C1(C)O.

What is the InChIKey of 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?

The InChIKey is VBMNYUVSPWSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N3O6/c1-12-25-30(8,37)27(35)24(6)33(11)19-20(2)18-29(7,38-17-15-31-14-13-16-32(9)10)23(5)21(3)26(34)22(4)28(36)39-25/h20-25,27,31,35,37H,12-19H2,1-11H3.

What are the key properties of 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione?

10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione has a molecular weight of 557.82 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[3-(dimethylamino)propylamino]ethoxy]-2-ethyl-3,4-dihydroxy-3,5,6,8,10,11,12,14-octamethyl-1-oxa-6-azacyclopentadecane-13,15-dione is sourced from PubChem (CID 23547777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).