N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C21H26FNO3 — CID 55447987

IUPACN-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)NCCCCOc2ccc(F)cc2)o1
InChIInChI=1S/C21H26FNO3/c1-15-14-19(15)20-10-8-18(26-20)9-11-21(24)23-12-2-3-13-25-17-6-4-16(22)5-7-17/h4-8,10,15,19H,2-3,9,11-14H2,1H3,(H,23,24)
InChIKeyLURSMBSLNFPCJV-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.45
Rot. Bonds10

About N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 55447987) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID55447987
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)NCCCCOc2ccc(F)cc2)o1
InChIInChI=1S/C21H26FNO3/c1-15-14-19(15)20-10-8-18(26-20)9-11-21(24)23-12-2-3-13-25-17-6-4-16(22)5-7-17/h4-8,10,15,19H,2-3,9,11-14H2,1H3,(H,23,24)
InChIKeyLURSMBSLNFPCJV-UHFFFAOYSA-N
XLogP4.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 55447987) is N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CC1CC1c1ccc(CCC(=O)NCCCCOc2ccc(F)cc2)o1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is LURSMBSLNFPCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15-14-19(15)20-10-8-18(26-20)9-11-21(24)23-12-2-3-13-25-17-6-4-16(22)5-7-17/h4-8,10,15,19H,2-3,9,11-14H2,1H3,(H,23,24).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 359.44 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 55447987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).