N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide

C11H17NO4 — CID 110899101

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCC(O)c1ccco1
InChIInChI=1S/C11H17NO4/c1-15-6-3-5-11(14)12-8-9(13)10-4-2-7-16-10/h2,4,7,9,13H,3,5-6,8H2,1H3,(H,12,14)
InChIKeyXXGKLJZNZUJEFN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.86
Rot. Bonds7

About N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide (PubChem CID 110899101) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
PubChem CID110899101
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCC(O)c1ccco1
InChIInChI=1S/C11H17NO4/c1-15-6-3-5-11(14)12-8-9(13)10-4-2-7-16-10/h2,4,7,9,13H,3,5-6,8H2,1H3,(H,12,14)
InChIKeyXXGKLJZNZUJEFN-UHFFFAOYSA-N
XLogP0.86
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
CID 110891752
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxyacetamide
CID 131701769
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
CID 110889375
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide (CID 110899101) is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide is COCCCC(=O)NCC(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide?
The InChIKey is XXGKLJZNZUJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-6-3-5-11(14)12-8-9(13)10-4-2-7-16-10/h2,4,7,9,13H,3,5-6,8H2,1H3,(H,12,14).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide has a molecular weight of 227.26 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide is sourced from PubChem (CID 110899101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).