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

C18H27NO6 — CID 6636709

IUPAC(6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
SMILESCO[C@@H]1C=CCC(=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/t12-,13-,14+,15-/m1/s1
InChIKeyUHCJVMWIBNKWAK-APIJFGDWSA-N
MW353.42 g/mol
LogP1.31
Rot. Bonds1

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

(6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione (PubChem CID 6636709) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione.

Molecular Properties

Compound Name(6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
PubChem CID6636709
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Name(6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
SMILESCO[C@@H]1C=CCC(=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/t12-,13-,14+,15-/m1/s1
InChIKeyUHCJVMWIBNKWAK-APIJFGDWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The IUPAC name of (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione (CID 6636709) is (6R,7R,11R,15S)-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 (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The canonical SMILES for (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione is CO[C@@H]1C=CCC(=O)N2CCC[C@H]2C(=O)OC[C@@H](C)C(=O)OC[C@H]1C.
What is the InChIKey of (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The InChIKey is UHCJVMWIBNKWAK-APIJFGDWSA-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/t12-,13-,14+,15-/m1/s1.
What are the key properties of (6R,7R,11R,15S)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
(6R,7R,11R,15S)-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 (6R,7R,11R,15S)-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 6636709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).