1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone

C18H28N2O3 — CID 124762588

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2CCCCC[C@H]2c2ccco2)C[C@@H](C)O1
InChIInChI=1S/C18H28N2O3/c1-14-11-20(12-15(2)23-14)18(21)13-19-9-5-3-4-7-16(19)17-8-6-10-22-17/h6,8,10,14-16H,3-5,7,9,11-13H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyWSYDRDYQVSJIOT-OAGGEKHMSA-N
MW320.43 g/mol
LogP2.83
Rot. Bonds3

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone (PubChem CID 124762588) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone
PubChem CID124762588
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2CCCCC[C@H]2c2ccco2)C[C@@H](C)O1
InChIInChI=1S/C18H28N2O3/c1-14-11-20(12-15(2)23-14)18(21)13-19-9-5-3-4-7-16(19)17-8-6-10-22-17/h6,8,10,14-16H,3-5,7,9,11-13H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyWSYDRDYQVSJIOT-OAGGEKHMSA-N
XLogP2.83
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone with MolForge

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Related Compounds

methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
(2S)-1-[(2S)-2-(furan-2-yl)azepan-1-yl]-3-methoxypropan-2-ol
CID 124616125
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95752296
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide
CID 124853733
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 129426736
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone (CID 124762588) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone is C[C@@H]1CN(C(=O)CN2CCCCC[C@H]2c2ccco2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone?
The InChIKey is WSYDRDYQVSJIOT-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-11-20(12-15(2)23-14)18(21)13-19-9-5-3-4-7-16(19)17-8-6-10-22-17/h6,8,10,14-16H,3-5,7,9,11-13H2,1-2H3/t14-,15-,16+/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone has a molecular weight of 320.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone is sourced from PubChem (CID 124762588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).