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

C18H27NO6 — CID 6419615

IUPAC(4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
SMILESCO[C@@H]1COC(=O)[C@H](C)COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C
InChIInChI=1S/C18H27NO6/c1-12-6-4-8-16(20)19-9-5-7-14(19)18(22)24-10-13(2)17(21)25-11-15(12)23-3/h4,6,12-15H,5,7-11H2,1-3H3/b6-4+/t12-,13-,14+,15-/m1/s1
InChIKeyXKTPPVLHTRWLBU-BNHCOBSSSA-N
MW353.42 g/mol
LogP1.31
Rot. Bonds1

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

(4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione (PubChem CID 6419615) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione.

Molecular Properties

Compound Name(4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
PubChem CID6419615
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Name(4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
SMILESCO[C@@H]1COC(=O)[C@H](C)COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C
InChIInChI=1S/C18H27NO6/c1-12-6-4-8-16(20)19-9-5-7-14(19)18(22)24-10-13(2)17(21)25-11-15(12)23-3/h4,6,12-15H,5,7-11H2,1-3H3/b6-4+/t12-,13-,14+,15-/m1/s1
InChIKeyXKTPPVLHTRWLBU-BNHCOBSSSA-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 (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The IUPAC name of (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione (CID 6419615) is (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione.
What is the SMILES notation for (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The canonical SMILES for (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione is CO[C@@H]1COC(=O)[C@H](C)COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C.
What is the InChIKey of (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
The InChIKey is XKTPPVLHTRWLBU-BNHCOBSSSA-N. The full InChI is InChI=1S/C18H27NO6/c1-12-6-4-8-16(20)19-9-5-7-14(19)18(22)24-10-13(2)17(21)25-11-15(12)23-3/h4,6,12-15H,5,7-11H2,1-3H3/b6-4+/t12-,13-,14+,15-/m1/s1.
What are the key properties of (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione?
(4E,6R,7S,11R,15S)-7-methoxy-6,11-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 (4E,6R,7S,11R,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione is sourced from PubChem (CID 6419615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).