3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide

C18H22FNO4 — CID 86914819

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCOCc2ccco2)cc1F
InChIInChI=1S/C18H22FNO4/c1-22-17-7-5-14(12-16(17)19)6-8-18(21)20-9-3-10-23-13-15-4-2-11-24-15/h2,4-5,7,11-12H,3,6,8-10,13H2,1H3,(H,20,21)
InChIKeyDSIHYSMLTJVJRG-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.08
Rot. Bonds10

About 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide (PubChem CID 86914819) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
PubChem CID86914819
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCOCc2ccco2)cc1F
InChIInChI=1S/C18H22FNO4/c1-22-17-7-5-14(12-16(17)19)6-8-18(21)20-9-3-10-23-13-15-4-2-11-24-15/h2,4-5,7,11-12H,3,6,8-10,13H2,1H3,(H,20,21)
InChIKeyDSIHYSMLTJVJRG-UHFFFAOYSA-N
XLogP3.08
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide (CID 86914819) is 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide is COc1ccc(CCC(=O)NCCCOCc2ccco2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The InChIKey is DSIHYSMLTJVJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4/c1-22-17-7-5-14(12-16(17)19)6-8-18(21)20-9-3-10-23-13-15-4-2-11-24-15/h2,4-5,7,11-12H,3,6,8-10,13H2,1H3,(H,20,21).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide has a molecular weight of 335.38 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide is sourced from PubChem (CID 86914819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).