[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

C24H25NO5 — CID 7716227

IUPAC[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1cc2occ(CC(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)c2cc1C
InChIInChI=1S/C24H25NO5/c1-16-12-20-19(15-29-21(20)13-17(16)2)14-22(26)30-23(18-6-4-3-5-7-18)24(27)25-8-10-28-11-9-25/h3-7,12-13,15,23H,8-11,14H2,1-2H3/t23-/m1/s1
InChIKeyWHVYODBVTRILAG-HSZRJFAPSA-N
MW407.47 g/mol
LogP3.74
Rot. Bonds5

About [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 7716227) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID7716227
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1cc2occ(CC(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)c2cc1C
InChIInChI=1S/C24H25NO5/c1-16-12-20-19(15-29-21(20)13-17(16)2)14-22(26)30-23(18-6-4-3-5-7-18)24(27)25-8-10-28-11-9-25/h3-7,12-13,15,23H,8-11,14H2,1-2H3/t23-/m1/s1
InChIKeyWHVYODBVTRILAG-HSZRJFAPSA-N
XLogP3.74
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 42056481
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251987
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8643190
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 51152741
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
CID 24520183
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32863739
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
CID 45353288

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (CID 7716227) is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is Cc1cc2occ(CC(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)c2cc1C.
What is the InChIKey of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is WHVYODBVTRILAG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16-12-20-19(15-29-21(20)13-17(16)2)14-22(26)30-23(18-6-4-3-5-7-18)24(27)25-8-10-28-11-9-25/h3-7,12-13,15,23H,8-11,14H2,1-2H3/t23-/m1/s1.
What are the key properties of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 407.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7716227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).