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

C13H20INO2 — CID 107848207

IUPAC3-(furan-2-yl)-N-(6-iodohexyl)propanamide
SMILESO=C(CCc1ccco1)NCCCCCCI
InChIInChI=1S/C13H20INO2/c14-9-3-1-2-4-10-15-13(16)8-7-12-6-5-11-17-12/h5-6,11H,1-4,7-10H2,(H,15,16)
InChIKeyQWRKLBXDVCNXHW-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.32
Rot. Bonds9

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

3-(furan-2-yl)-N-(6-iodohexyl)propanamide (PubChem CID 107848207) has the molecular formula C13H20INO2 and a molecular weight of 349.21 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(6-iodohexyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(6-iodohexyl)propanamide
PubChem CID107848207
Molecular FormulaC13H20INO2
Molecular Weight349.21 g/mol
Exact Mass349.05
IUPAC Name3-(furan-2-yl)-N-(6-iodohexyl)propanamide
SMILESO=C(CCc1ccco1)NCCCCCCI
InChIInChI=1S/C13H20INO2/c14-9-3-1-2-4-10-15-13(16)8-7-12-6-5-11-17-12/h5-6,11H,1-4,7-10H2,(H,15,16)
InChIKeyQWRKLBXDVCNXHW-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773
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
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
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
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
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(6-iodohexyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(6-iodohexyl)propanamide (CID 107848207) is 3-(furan-2-yl)-N-(6-iodohexyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(6-iodohexyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(6-iodohexyl)propanamide is O=C(CCc1ccco1)NCCCCCCI.
What is the InChIKey of 3-(furan-2-yl)-N-(6-iodohexyl)propanamide?
The InChIKey is QWRKLBXDVCNXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO2/c14-9-3-1-2-4-10-15-13(16)8-7-12-6-5-11-17-12/h5-6,11H,1-4,7-10H2,(H,15,16).
What are the key properties of 3-(furan-2-yl)-N-(6-iodohexyl)propanamide?
3-(furan-2-yl)-N-(6-iodohexyl)propanamide has a molecular weight of 349.21 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(6-iodohexyl)propanamide is sourced from PubChem (CID 107848207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).