[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone

C16H19NO4 — CID 95739192

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc2occc12
InChIInChI=1S/C16H19NO4/c1-10-8-17(9-11(2)21-10)16(18)12-6-14(19-3)13-4-5-20-15(13)7-12/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyDFDHBHQLBDAWEJ-PHIMTYICSA-N
MW289.33 g/mol
LogP2.69
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone (PubChem CID 95739192) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone
PubChem CID95739192
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc2occc12
InChIInChI=1S/C16H19NO4/c1-10-8-17(9-11(2)21-10)16(18)12-6-14(19-3)13-4-5-20-15(13)7-12/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyDFDHBHQLBDAWEJ-PHIMTYICSA-N
XLogP2.69
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone
CID 95739221
(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 35864203
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 42944718
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone (CID 95739192) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone is COc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc2occc12.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone?
The InChIKey is DFDHBHQLBDAWEJ-PHIMTYICSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-8-17(9-11(2)21-10)16(18)12-6-14(19-3)13-4-5-20-15(13)7-12/h4-7,10-11H,8-9H2,1-3H3/t10-,11+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone is sourced from PubChem (CID 95739192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).