N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide

C11H15NO5 — CID 171882477

IUPACN-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(C=O)o1
InChIInChI=1S/C11H15NO5/c1-7(14)12-5-4-9(15)11(16)10-3-2-8(6-13)17-10/h2-3,6,9,11,15-16H,4-5H2,1H3,(H,12,14)
InChIKeyIHBCOSSXAUVYQM-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.01
Rot. Bonds6

About N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide

N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882477) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882477
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC NameN-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(C=O)o1
InChIInChI=1S/C11H15NO5/c1-7(14)12-5-4-9(15)11(16)10-3-2-8(6-13)17-10/h2-3,6,9,11,15-16H,4-5H2,1H3,(H,12,14)
InChIKeyIHBCOSSXAUVYQM-UHFFFAOYSA-N
XLogP0.01
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-formylthiophen-2-yl)-3,4-dihydroxybutyl]acetamide
CID 171882482
4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide
CID 171898602
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639
N-[4-(3-fluoro-2-formyl-6-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883370
N-[4-(2-chloro-5-formylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882953
4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
CID 171883542
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
N-[3,4-dihydroxy-4-(2,3,4-trifluorophenyl)butyl]acetamide
CID 171882871
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
CID 171882991
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide (CID 171882477) is N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc(C=O)o1.
What is the InChIKey of N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is IHBCOSSXAUVYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7(14)12-5-4-9(15)11(16)10-3-2-8(6-13)17-10/h2-3,6,9,11,15-16H,4-5H2,1H3,(H,12,14).
What are the key properties of N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide?
N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 241.24 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).