3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone

C19H32N2O6 — CID 566354

IUPAC3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCCCCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C19H32N2O6/c1-19(2)13-26-17(24)9-7-15(22)20-11-5-3-4-6-12-21-16(23)8-10-18(25)27-14-19/h3-14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXUGUOXHAAVXTIY-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.47
Rot. Bonds

About 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone

3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone (PubChem CID 566354) has the molecular formula C19H32N2O6 and a molecular weight of 384.47 g/mol. Its IUPAC name is 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone.

Molecular Properties

Compound Name3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone
PubChem CID566354
Molecular FormulaC19H32N2O6
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Name3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCCCCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C19H32N2O6/c1-19(2)13-26-17(24)9-7-15(22)20-11-5-3-4-6-12-21-16(23)8-10-18(25)27-14-19/h3-14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXUGUOXHAAVXTIY-UHFFFAOYSA-N
XLogP1.47
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone with MolForge

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Related Compounds

Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester
CID 3322722
Methyl 4-oxo-4-(tetradecylamino)butanoate
CID 71386644
1,5-Dioxa-10,17-diazacycloheneicosane-6,9,18,21-tetrone
CID 543696
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CID 550827
3,3-Dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
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CID 604133
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CID 57731137
2-Butanoyloxyethyl 4-(heptylamino)-4-oxobutanoate
CID 58021767

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
The IUPAC name of 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone (CID 566354) is 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone.
What is the SMILES notation for 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
The canonical SMILES for 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone is CC1(C)COC(=O)CCC(=O)NCCCCCCNC(=O)CCC(=O)OC1.
What is the InChIKey of 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
The InChIKey is XUGUOXHAAVXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O6/c1-19(2)13-26-17(24)9-7-15(22)20-11-5-3-4-6-12-21-16(23)8-10-18(25)27-14-19/h3-14H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone has a molecular weight of 384.47 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone is sourced from PubChem (CID 566354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).