N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide

C18H24N2O3 — CID 91769280

IUPACN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)N1CCOCC1
InChIInChI=1S/C18H24N2O3/c21-18(20-7-10-22-11-8-20)19-16-14-6-9-23-17(14)15(16)12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2,(H,19,21)/t14-,15+,16-,17-/m0/s1
InChIKeySUCGARSCBFCHRF-YVSFHVDLSA-N
MW316.40 g/mol
LogP1.67
Rot. Bonds3

About N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide

N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide (PubChem CID 91769280) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide
PubChem CID91769280
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)N1CCOCC1
InChIInChI=1S/C18H24N2O3/c21-18(20-7-10-22-11-8-20)19-16-14-6-9-23-17(14)15(16)12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2,(H,19,21)/t14-,15+,16-,17-/m0/s1
InChIKeySUCGARSCBFCHRF-YVSFHVDLSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide (CID 91769280) is N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide is O=C(N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)N1CCOCC1.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide?
The InChIKey is SUCGARSCBFCHRF-YVSFHVDLSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18(20-7-10-22-11-8-20)19-16-14-6-9-23-17(14)15(16)12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2,(H,19,21)/t14-,15+,16-,17-/m0/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide?
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]morpholine-4-carboxamide is sourced from PubChem (CID 91769280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).