N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide

C14H28FNO2 — CID 176934574

IUPACN-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CCCCOCCCCCF
InChIInChI=1S/C14H28FNO2/c1-13(2)14(17)16(3)10-6-8-12-18-11-7-4-5-9-15/h13H,4-12H2,1-3H3
InChIKeySLWDVGFBNYUGSG-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.04
Rot. Bonds11

About N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide

N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide (PubChem CID 176934574) has the molecular formula C14H28FNO2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide
PubChem CID176934574
Molecular FormulaC14H28FNO2
Molecular Weight261.38 g/mol
Exact Mass261.21
IUPAC NameN-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CCCCOCCCCCF
InChIInChI=1S/C14H28FNO2/c1-13(2)14(17)16(3)10-6-8-12-18-11-7-4-5-9-15/h13H,4-12H2,1-3H3
InChIKeySLWDVGFBNYUGSG-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide (CID 176934574) is N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CCCCOCCCCCF.
What is the InChIKey of N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide?
The InChIKey is SLWDVGFBNYUGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO2/c1-13(2)14(17)16(3)10-6-8-12-18-11-7-4-5-9-15/h13H,4-12H2,1-3H3.
What are the key properties of N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide?
N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide has a molecular weight of 261.38 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropentoxy)butyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 176934574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).