5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone

C24H26N2O6 — CID 15449519

IUPAC5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
SMILESCCC1COC(=O)c2cccc(c2)C(=O)OCC(CC)NC(=O)c2cccc(c2)C(=O)N1
InChIInChI=1S/C24H26N2O6/c1-3-19-13-31-23(29)17-9-6-10-18(12-17)24(30)32-14-20(4-2)26-22(28)16-8-5-7-15(11-16)21(27)25-19/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLCSMWGIKKUEOAV-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.73
Rot. Bonds2

About 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone

5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone (PubChem CID 15449519) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone.

Molecular Properties

Compound Name5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
PubChem CID15449519
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
SMILESCCC1COC(=O)c2cccc(c2)C(=O)OCC(CC)NC(=O)c2cccc(c2)C(=O)N1
InChIInChI=1S/C24H26N2O6/c1-3-19-13-31-23(29)17-9-6-10-18(12-17)24(30)32-14-20(4-2)26-22(28)16-8-5-7-15(11-16)21(27)25-19/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLCSMWGIKKUEOAV-UHFFFAOYSA-N
XLogP2.73
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone 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

(5R,14R)-5,14-diethyl-3,16-dioxa-23-thia-6,13-diazatricyclo[16.3.1.18,11]tricosa-1(22),8,10,18,20-pentaene-2,7,12,17-tetrone
CID 11385239
(5R,14R)-5,14-diethyl-3,16-dioxa-21,22-dithia-6,13-diazatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-2,7,12,17-tetrone
CID 11465101
(11R)-6-(2,6-dimethylphenyl)-11-ethyl-2,2-dioxo-9-oxa-2λ6-thia-3,5,12,19-tetrazatricyclo[12.3.1.14,8]nonadeca-1(17),4,6,8(19),14(18),15-hexaen-13-one;molecular hydrogen
CID 163243727
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 11103469
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 84618499
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
(11R)-6-(2,6-dimethylphenyl)-11-(2-methylpropyl)-2-oxo-9-oxa-2λ4-thia-3,5,12,19-tetrazatricyclo[12.3.1.14,8]nonadeca-1(17),4,6,8(19),14(18),15-hexaen-13-one
CID 170407412
3,6-dioxabicyclo[6.3.1]dodeca-1(12),8,10-triene-2,7-dione;ethane-1,2-diol
CID 174502496
11,12-dimethyl-3,20-dioxabicyclo[20.3.1]hexacosa-1(26),22,24-triene-2,21-dione
CID 129239045

Frequently Asked Questions

What is the IUPAC name of 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
The IUPAC name of 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone (CID 15449519) is 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone.
What is the SMILES notation for 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
The canonical SMILES for 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone is CCC1COC(=O)c2cccc(c2)C(=O)OCC(CC)NC(=O)c2cccc(c2)C(=O)N1.
What is the InChIKey of 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
The InChIKey is LCSMWGIKKUEOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-3-19-13-31-23(29)17-9-6-10-18(12-17)24(30)32-14-20(4-2)26-22(28)16-8-5-7-15(11-16)21(27)25-19/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone has a molecular weight of 438.48 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone is sourced from PubChem (CID 15449519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).