4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide

C18H22FNO4 — CID 111481140

IUPAC4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CCCOc2ccc(F)cc2)o1
InChIInChI=1S/C18H22FNO4/c1-13-5-10-16(24-13)18(2,22)12-20-17(21)4-3-11-23-15-8-6-14(19)7-9-15/h5-10,22H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyVXPNJXBDIVMOTN-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.91
Rot. Bonds8

About 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide

4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide (PubChem CID 111481140) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
PubChem CID111481140
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CCCOc2ccc(F)cc2)o1
InChIInChI=1S/C18H22FNO4/c1-13-5-10-16(24-13)18(2,22)12-20-17(21)4-3-11-23-15-8-6-14(19)7-9-15/h5-10,22H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyVXPNJXBDIVMOTN-UHFFFAOYSA-N
XLogP2.91
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.91
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-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide
CID 111481199
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
CID 97247433
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide (CID 111481140) is 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide is Cc1ccc(C(C)(O)CNC(=O)CCCOc2ccc(F)cc2)o1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The InChIKey is VXPNJXBDIVMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4/c1-13-5-10-16(24-13)18(2,22)12-20-17(21)4-3-11-23-15-8-6-14(19)7-9-15/h5-10,22H,3-4,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide has a molecular weight of 335.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide is sourced from PubChem (CID 111481140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).