(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione

C17H24N4O4 — CID 156704126

IUPAC(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione
SMILESCCCCCCOc1c2n(ccc1=O)N[C@@H]1CC(=O)N(C)CN1C2=O
InChIInChI=1S/C17H24N4O4/c1-3-4-5-6-9-25-16-12(22)7-8-21-15(16)17(24)20-11-19(2)14(23)10-13(20)18-21/h7-8,13,18H,3-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyHNFWEKMWOAQACF-ZDUSSCGKSA-N
MW348.40 g/mol
LogP0.95
Rot. Bonds6

About (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione

(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione (PubChem CID 156704126) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione.

Molecular Properties

Compound Name(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione
PubChem CID156704126
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione
SMILESCCCCCCOc1c2n(ccc1=O)N[C@@H]1CC(=O)N(C)CN1C2=O
InChIInChI=1S/C17H24N4O4/c1-3-4-5-6-9-25-16-12(22)7-8-21-15(16)17(24)20-11-19(2)14(23)10-13(20)18-21/h7-8,13,18H,3-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyHNFWEKMWOAQACF-ZDUSSCGKSA-N
XLogP0.95
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione?
The IUPAC name of (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione (CID 156704126) is (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione.
What is the SMILES notation for (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione?
The canonical SMILES for (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione is CCCCCCOc1c2n(ccc1=O)N[C@@H]1CC(=O)N(C)CN1C2=O.
What is the InChIKey of (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione?
The InChIKey is HNFWEKMWOAQACF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-4-5-6-9-25-16-12(22)7-8-21-15(16)17(24)20-11-19(2)14(23)10-13(20)18-21/h7-8,13,18H,3-6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione?
(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione has a molecular weight of 348.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione is sourced from PubChem (CID 156704126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).