(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione

C18H27NO6 — CID 16758277

IUPAC(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
SMILESCO[C@@H]1/C=C\CC(=O)N2CCC[C@@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C
InChIInChI=1S/C18H27NO6/c1-12-10-24-17(21)13(2)11-25-18(22)14-6-5-9-19(14)16(20)8-4-7-15(12)23-3/h4,7,12-15H,5-6,8-11H2,1-3H3/b7-4-/t12-,13+,14-,15-/m1/s1
InChIKeyUHCJVMWIBNKWAK-FBWDODNZSA-N
MW353.42 g/mol
LogP1.31
Rot. Bonds1

About (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione

(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione (PubChem CID 16758277) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione.

Molecular Properties

Compound Name(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
PubChem CID16758277
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Name(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
SMILESCO[C@@H]1/C=C\CC(=O)N2CCC[C@@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C
InChIInChI=1S/C18H27NO6/c1-12-10-24-17(21)13(2)11-25-18(22)14-6-5-9-19(14)16(20)8-4-7-15(12)23-3/h4,7,12-15H,5-6,8-11H2,1-3H3/b7-4-/t12-,13+,14-,15-/m1/s1
InChIKeyUHCJVMWIBNKWAK-FBWDODNZSA-N
XLogP1.31
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione with MolForge

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Related Compounds

7-O-tert-butyl 8-O-methyl (5aS,8S,8aR)-2,5,5a,6,8,8a-hexahydrooxepino[2,3-c]pyrrole-7,8-dicarboxylate
CID 137487190
(4Z,6S,7R,12Z,14R,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758248
(4Z,6R,7R,12Z,14R,18R)-7-methoxy-6,14-dimethyl-9,16-dioxa-1-azabicyclo[16.3.0]henicosa-4,12-diene-2,10,17-trione
CID 16758263
(4Z,6R,7R,11R,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
CID 16758278
(4Z,6R,7S,12Z,14S,15R,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758279
(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758281
(3S,8Z,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 16758335
(3S,8Z,10R,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
CID 16758336
(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
CID 16758337
(3S,8Z,10S,11R,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 16758338
ethyl (2R)-1-[(E)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-enoyl]pyrrolidine-2-carboxylate
CID 132849611
(4E,6R,7S,12E,14R,15S,19S)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 6419584

Frequently Asked Questions

What is the IUPAC name of (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The IUPAC name of (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione (CID 16758277) is (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione.
What is the SMILES notation for (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The canonical SMILES for (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione is CO[C@@H]1/C=C\CC(=O)N2CCC[C@@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C.
What is the InChIKey of (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The InChIKey is UHCJVMWIBNKWAK-FBWDODNZSA-N. The full InChI is InChI=1S/C18H27NO6/c1-12-10-24-17(21)13(2)11-25-18(22)14-6-5-9-19(14)16(20)8-4-7-15(12)23-3/h4,7,12-15H,5-6,8-11H2,1-3H3/b7-4-/t12-,13+,14-,15-/m1/s1.
What are the key properties of (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione has a molecular weight of 353.42 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione is sourced from PubChem (CID 16758277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).