2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide

C16H17NO4 — CID 166651216

IUPAC2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)c1coc2cc3c(cc12)CCO3
InChIInChI=1S/C16H17NO4/c1-2-3-11(16(19)17-9-18)13-8-21-15-7-14-10(4-5-20-14)6-12(13)15/h6-9,11H,2-5H2,1H3,(H,17,18,19)
InChIKeyQHAAIDBGQILGOA-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.52
Rot. Bonds5

About 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide

2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide (PubChem CID 166651216) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide.

Molecular Properties

Compound Name2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide
PubChem CID166651216
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)c1coc2cc3c(cc12)CCO3
InChIInChI=1S/C16H17NO4/c1-2-3-11(16(19)17-9-18)13-8-21-15-7-14-10(4-5-20-14)6-12(13)15/h6-9,11H,2-5H2,1H3,(H,17,18,19)
InChIKeyQHAAIDBGQILGOA-UHFFFAOYSA-N
XLogP2.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
CID 172805851
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid
CID 84779473
diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
CID 33242600
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
3-(2,3-dihydro-1-benzofuran-6-yl)-3-formamidopropanoic acid
CID 165121477

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide?
The IUPAC name of 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide (CID 166651216) is 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide.
What is the SMILES notation for 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide?
The canonical SMILES for 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide is CCCC(C(=O)NC=O)c1coc2cc3c(cc12)CCO3.
What is the InChIKey of 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide?
The InChIKey is QHAAIDBGQILGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-3-11(16(19)17-9-18)13-8-21-15-7-14-10(4-5-20-14)6-12(13)15/h6-9,11H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide?
2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide has a molecular weight of 287.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)-N-formylpentanamide is sourced from PubChem (CID 166651216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).