methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate

C16H19NO4 — CID 40918319

IUPACmethyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C16H19NO4/c1-9-5-6-13-12(8-21-15(13)10(9)2)7-14(18)17-11(3)16(19)20-4/h5-6,8,11H,7H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyNOMUZLBBZAOANX-LLVKDONJSA-N
MW289.33 g/mol
LogP2.27
Rot. Bonds4

About methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate

methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate (PubChem CID 40918319) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
PubChem CID40918319
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C16H19NO4/c1-9-5-6-13-12(8-21-15(13)10(9)2)7-14(18)17-11(3)16(19)20-4/h5-6,8,11H,7H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyNOMUZLBBZAOANX-LLVKDONJSA-N
XLogP2.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617694
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46575789
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 51121857
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 51081251

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate (CID 40918319) is methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12.
What is the InChIKey of methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
The InChIKey is NOMUZLBBZAOANX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9-5-6-13-12(8-21-15(13)10(9)2)7-14(18)17-11(3)16(19)20-4/h5-6,8,11H,7H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate has a molecular weight of 289.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 40918319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).