2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone

C14H17NO3 — CID 117370347

IUPAC2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
SMILESCNCC(=O)c1c2c(c(C)c3c1OCC3)OCC2
InChIInChI=1S/C14H17NO3/c1-8-9-3-5-18-14(9)12(11(16)7-15-2)10-4-6-17-13(8)10/h15H,3-7H2,1-2H3
InChIKeyUIPRDITYJDHOOA-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.27
Rot. Bonds3

About 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone

2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone (PubChem CID 117370347) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
PubChem CID117370347
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
SMILESCNCC(=O)c1c2c(c(C)c3c1OCC3)OCC2
InChIInChI=1S/C14H17NO3/c1-8-9-3-5-18-14(9)12(11(16)7-15-2)10-4-6-17-13(8)10/h15H,3-7H2,1-2H3
InChIKeyUIPRDITYJDHOOA-UHFFFAOYSA-N
XLogP1.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone with MolForge

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Related Compounds

methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986532
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
CID 117324410
4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
CID 116986659
N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
CID 117315614
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal
CID 117336282
ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
CID 117471886
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
CID 117359147
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanone
CID 84702820
2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 115010665
1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010612

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone (CID 117370347) is 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone is CNCC(=O)c1c2c(c(C)c3c1OCC3)OCC2.
What is the InChIKey of 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
The InChIKey is UIPRDITYJDHOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-9-3-5-18-14(9)12(11(16)7-15-2)10-4-6-17-13(8)10/h15H,3-7H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone has a molecular weight of 247.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone is sourced from PubChem (CID 117370347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).