N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide

C14H28FNO2 — CID 149365164

IUPACN-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide
SMILESCC(C)CCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C14H28FNO2/c1-10(2)7-6-8-18-12(5)13(15)9-16-14(17)11(3)4/h10-13H,6-9H2,1-5H3,(H,16,17)
InChIKeyYIRZHYDVXPFTLU-UHFFFAOYSA-N
MW261.38 g/mol
LogP2.94
Rot. Bonds9

About N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide

N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide (PubChem CID 149365164) has the molecular formula C14H28FNO2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide
PubChem CID149365164
Molecular FormulaC14H28FNO2
Molecular Weight261.38 g/mol
Exact Mass261.21
IUPAC NameN-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide
SMILESCC(C)CCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C14H28FNO2/c1-10(2)7-6-8-18-12(5)13(15)9-16-14(17)11(3)4/h10-13H,6-9H2,1-5H3,(H,16,17)
InChIKeyYIRZHYDVXPFTLU-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide (CID 149365164) is N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide is CC(C)CCCOC(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
The InChIKey is YIRZHYDVXPFTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO2/c1-10(2)7-6-8-18-12(5)13(15)9-16-14(17)11(3)4/h10-13H,6-9H2,1-5H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide has a molecular weight of 261.38 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide is sourced from PubChem (CID 149365164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).