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

C18H24N2O3 — CID 28731167

IUPAC[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CCO[C@@H](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/t15-/m0/s1
InChIKeyKUODEWWAWQTGFK-HNNXBMFYSA-N
MW316.40 g/mol
LogP2.53
Rot. Bonds4

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

[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone (PubChem CID 28731167) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
PubChem CID28731167
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
SMILESCc1cc2cccc(C(=O)N3CCO[C@@H](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/t15-/m0/s1
InChIKeyKUODEWWAWQTGFK-HNNXBMFYSA-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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Related Compounds

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 45235539
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70720889
[2-[3-(dimethylamino)propyl]morpholin-4-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252933
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 42190289
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 45173722
3-[(dimethylamino)methyl]-8-(2-methyl-1-benzofuran-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172910356
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[2-(bromomethyl)morpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81209568
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The IUPAC name of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone (CID 28731167) is [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone is Cc1cc2cccc(C(=O)N3CCO[C@@H](CCN(C)C)C3)c2o1.
What is the InChIKey of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
The InChIKey is KUODEWWAWQTGFK-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone?
[(2S)-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 [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 28731167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).