[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone

C18H24N2O3 — CID 45181990

IUPAC[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CCOC(CCN(C)C)C3)c2o1
InChIInChI=1S/C18H24N2O3/c1-13-11-14-5-4-6-16(17(14)23-13)18(21)20-9-10-22-15(12-20)7-8-19(2)3/h4-6,11,15H,7-10,12H2,1-3H3
InChIKeyKUODEWWAWQTGFK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.53
Rot. Bonds4

About [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone (PubChem CID 45181990) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
PubChem CID45181990
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CCOC(CCN(C)C)C3)c2o1
InChIInChI=1S/C18H24N2O3/c1-13-11-14-5-4-6-16(17(14)23-13)18(21)20-9-10-22-15(12-20)7-8-19(2)3/h4-6,11,15H,7-10,12H2,1-3H3
InChIKeyKUODEWWAWQTGFK-UHFFFAOYSA-N
XLogP2.53
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone (CID 45181990) is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone is Cc1cc2cccc(C(=O)N3CCOC(CCN(C)C)C3)c2o1.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The InChIKey is KUODEWWAWQTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-11-14-5-4-6-16(17(14)23-13)18(21)20-9-10-22-15(12-20)7-8-19(2)3/h4-6,11,15H,7-10,12H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 45181990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).