[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C18H21NO5 — CID 7296240

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccccc12
InChIInChI=1S/C18H21NO5/c1-11-8-19(9-12(2)23-11)16(20)10-22-18(21)17-13(3)14-6-4-5-7-15(14)24-17/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyZMKMDZCADYEHNQ-VXGBXAGGSA-N
MW331.37 g/mol
LogP2.53
Rot. Bonds3

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7296240) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID7296240
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccccc12
InChIInChI=1S/C18H21NO5/c1-11-8-19(9-12(2)23-11)16(20)10-22-18(21)17-13(3)14-6-4-5-7-15(14)24-17/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyZMKMDZCADYEHNQ-VXGBXAGGSA-N
XLogP2.53
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7552974
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961238
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653300
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 27908253
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-(methylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2410420
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825087
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8849070
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2637047
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530775

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 7296240) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccccc12.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is ZMKMDZCADYEHNQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H21NO5/c1-11-8-19(9-12(2)23-11)16(20)10-22-18(21)17-13(3)14-6-4-5-7-15(14)24-17/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7296240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).