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

C15H30FNO2 — CID 158934566

IUPACN-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide
SMILESCC(C)CCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C15H30FNO2/c1-11(2)8-7-9-19-15(5,6)13(16)10-17-14(18)12(3)4/h11-13H,7-10H2,1-6H3,(H,17,18)
InChIKeyMBUWQFIMUQPEJX-UHFFFAOYSA-N
MW275.41 g/mol
LogP3.33
Rot. Bonds9

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

N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide (PubChem CID 158934566) has the molecular formula C15H30FNO2 and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide
PubChem CID158934566
Molecular FormulaC15H30FNO2
Molecular Weight275.41 g/mol
Exact Mass275.23
IUPAC NameN-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide
SMILESCC(C)CCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C15H30FNO2/c1-11(2)8-7-9-19-15(5,6)13(16)10-17-14(18)12(3)4/h11-13H,7-10H2,1-6H3,(H,17,18)
InChIKeyMBUWQFIMUQPEJX-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 53.33
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-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide (CID 158934566) is N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide is CC(C)CCCOC(C)(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
The InChIKey is MBUWQFIMUQPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FNO2/c1-11(2)8-7-9-19-15(5,6)13(16)10-17-14(18)12(3)4/h11-13H,7-10H2,1-6H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide?
N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide has a molecular weight of 275.41 g/mol, XLogP of 3.33, 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-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide is sourced from PubChem (CID 158934566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).