[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone

C16H25NO4 — CID 129485694

IUPAC[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccoc2C(C)C)CC(C)(C)O1
InChIInChI=1S/C16H25NO4/c1-11(2)14-13(6-7-20-14)15(18)17-8-12(9-19-5)21-16(3,4)10-17/h6-7,11-12H,8-10H2,1-5H3/t12-/m1/s1
InChIKeyKJEYAUZZLDXUCF-GFCCVEGCSA-N
MW295.38 g/mol
LogP2.67
Rot. Bonds4

About [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone

[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone (PubChem CID 129485694) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone
PubChem CID129485694
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccoc2C(C)C)CC(C)(C)O1
InChIInChI=1S/C16H25NO4/c1-11(2)14-13(6-7-20-14)15(18)17-8-12(9-19-5)21-16(3,4)10-17/h6-7,11-12H,8-10H2,1-5H3/t12-/m1/s1
InChIKeyKJEYAUZZLDXUCF-GFCCVEGCSA-N
XLogP2.67
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone?
The IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone (CID 129485694) is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone.
What is the SMILES notation for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone?
The canonical SMILES for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone is COC[C@H]1CN(C(=O)c2ccoc2C(C)C)CC(C)(C)O1.
What is the InChIKey of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone?
The InChIKey is KJEYAUZZLDXUCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(2)14-13(6-7-20-14)15(18)17-8-12(9-19-5)21-16(3,4)10-17/h6-7,11-12H,8-10H2,1-5H3/t12-/m1/s1.
What are the key properties of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone?
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone has a molecular weight of 295.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone is sourced from PubChem (CID 129485694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).