Oxydon

C22H24N2O9 — CID 54686003

IUPAC4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
SMILESCC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
InChIInChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)
InChIKeyOWFJMIVZYSDULZ-UHFFFAOYSA-N
MW460.40 g/mol
LogP-1.60
Rot. Bonds2

About Oxydon

Oxydon (PubChem CID 54686003) has the molecular formula C22H24N2O9 and a molecular weight of 460.40 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide.

Molecular Properties

Compound NameOxydon
PubChem CID54686003
Molecular FormulaC22H24N2O9
Molecular Weight460.40 g/mol
Exact Mass460.15
IUPAC Name4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
SMILESCC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
InChIInChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)
InChIKeyOWFJMIVZYSDULZ-UHFFFAOYSA-N
XLogP-1.60
TPSA202.00 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms33
Complexity1000

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 5-1.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze Oxydon with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetracycline
CID 54675776
Terramycin
CID 54675779
4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid
CID 54671203
Achromycin
CID 54685734
Doxycycline Hydrochloride
CID 54685920
Doxycycline hyclate
CID 54705095
Chlortetracycline
CID 54675777
Deganol
CID 54680103
Demeclocycline
CID 54680690
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-
CID 54704426
Doryx
CID 54686183
Oxytetracycline calcium
CID 54682935

Frequently Asked Questions

What is the IUPAC name of Oxydon?
The IUPAC name of Oxydon (CID 54686003) is 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide.
What is the SMILES notation for Oxydon?
The canonical SMILES for Oxydon is CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.
What is the InChIKey of Oxydon?
The InChIKey is OWFJMIVZYSDULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31).
What are the key properties of Oxydon?
Oxydon has a molecular weight of 460.40 g/mol, XLogP of -1.60, 2 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Oxydon is sourced from PubChem (CID 54686003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).