1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone

C16H20N2O3 — CID 97040394

IUPAC1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCN(C)C[C@@H]1COCCN1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-17(2)10-13-11-20-8-7-18(13)16(19)15-9-12-5-3-4-6-14(12)21-15/h3-6,9,13H,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyDYRKMEAYYSEGMX-CYBMUJFWSA-N
MW288.35 g/mol
LogP1.84
Rot. Bonds3

About 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone

1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone (PubChem CID 97040394) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
PubChem CID97040394
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCN(C)C[C@@H]1COCCN1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-17(2)10-13-11-20-8-7-18(13)16(19)15-9-12-5-3-4-6-14(12)21-15/h3-6,9,13H,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyDYRKMEAYYSEGMX-CYBMUJFWSA-N
XLogP1.84
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone (CID 97040394) is 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone is CN(C)C[C@@H]1COCCN1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The InChIKey is DYRKMEAYYSEGMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17(2)10-13-11-20-8-7-18(13)16(19)15-9-12-5-3-4-6-14(12)21-15/h3-6,9,13H,7-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 97040394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).