3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide

C13H21NO3 — CID 25135773

IUPAC3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
SMILESO=C(CCc1ccco1)NCCCCCCO
InChIInChI=1S/C13H21NO3/c15-10-4-2-1-3-9-14-13(16)8-7-12-6-5-11-17-12/h5-6,11,15H,1-4,7-10H2,(H,14,16)
InChIKeyOTIQTPYGHGQOMK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.88
Rot. Bonds9

About 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide

3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide (PubChem CID 25135773) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
PubChem CID25135773
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
SMILESO=C(CCc1ccco1)NCCCCCCO
InChIInChI=1S/C13H21NO3/c15-10-4-2-1-3-9-14-13(16)8-7-12-6-5-11-17-12/h5-6,11,15H,1-4,7-10H2,(H,14,16)
InChIKeyOTIQTPYGHGQOMK-UHFFFAOYSA-N
XLogP1.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
CID 110616052
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
11-(furan-2-yl)undecan-1-ol
CID 139763920
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-(furan-2-yl)propanamide
CID 110312236
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide (CID 25135773) is 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide is O=C(CCc1ccco1)NCCCCCCO.
What is the InChIKey of 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide?
The InChIKey is OTIQTPYGHGQOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-10-4-2-1-3-9-14-13(16)8-7-12-6-5-11-17-12/h5-6,11,15H,1-4,7-10H2,(H,14,16).
What are the key properties of 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide?
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide has a molecular weight of 239.31 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide is sourced from PubChem (CID 25135773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).