2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

C20H21NO4 — CID 52537836

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H21NO4/c1-14-12-21(13-18(25-14)15-6-3-2-4-7-15)20(22)16-8-5-9-17-19(16)24-11-10-23-17/h2-9,14,18H,10-13H2,1H3/t14-,18-/m1/s1
InChIKeyVOUXJFATNOHCEE-RDTXWAMCSA-N
MW339.39 g/mol
LogP3.06
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 52537836) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID52537836
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H21NO4/c1-14-12-21(13-18(25-14)15-6-3-2-4-7-15)20(22)16-8-5-9-17-19(16)24-11-10-23-17/h2-9,14,18H,10-13H2,1H3/t14-,18-/m1/s1
InChIKeyVOUXJFATNOHCEE-RDTXWAMCSA-N
XLogP3.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 102938298
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 97369190
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95215460
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
N-[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
CID 110133091
(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914309
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
(3-bromo-2-hydroxy-5-methylphenyl)-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95034994
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 52537836) is 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H](c2ccccc2)O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is VOUXJFATNOHCEE-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-12-21(13-18(25-14)15-6-3-2-4-7-15)20(22)16-8-5-9-17-19(16)24-11-10-23-17/h2-9,14,18H,10-13H2,1H3/t14-,18-/m1/s1.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 339.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 52537836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).