(3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione

C18H29NO6 — CID 16758344

IUPAC(3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione
SMILESCO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C
InChIInChI=1S/C18H29NO6/c1-12-6-4-8-16(20)24-10-13(2)17(21)19-9-5-7-14(19)18(22)25-11-15(12)23-3/h12-15H,4-11H2,1-3H3/t12-,13+,14-,15-/m1/s1
InChIKeyFMHCXROILBDNAE-LXTVHRRPSA-N
MW355.43 g/mol
LogP1.53
Rot. Bonds1

About (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione

(3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione (PubChem CID 16758344) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione.

Molecular Properties

Compound Name(3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione
PubChem CID16758344
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Name(3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione
SMILESCO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C
InChIInChI=1S/C18H29NO6/c1-12-6-4-8-16(20)24-10-13(2)17(21)19-9-5-7-14(19)18(22)25-11-15(12)23-3/h12-15H,4-11H2,1-3H3/t12-,13+,14-,15-/m1/s1
InChIKeyFMHCXROILBDNAE-LXTVHRRPSA-N
XLogP1.53
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione?
The IUPAC name of (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione (CID 16758344) is (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione.
What is the SMILES notation for (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione?
The canonical SMILES for (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione is CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C.
What is the InChIKey of (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione?
The InChIKey is FMHCXROILBDNAE-LXTVHRRPSA-N. The full InChI is InChI=1S/C18H29NO6/c1-12-6-4-8-16(20)24-10-13(2)17(21)19-9-5-7-14(19)18(22)25-11-15(12)23-3/h12-15H,4-11H2,1-3H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione?
(3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione has a molecular weight of 355.43 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadecane-2,6,14-trione is sourced from PubChem (CID 16758344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).