N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

C18H37FN2O6 — CID 138727778

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C18H37FN2O6/c1-16(2)18(22)21-14-17(19)15-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20-3/h16-17,20H,4-15H2,1-3H3,(H,21,22)
InChIKeyKVMNTTXBILGNPX-UHFFFAOYSA-N
MW396.50 g/mol
LogP0.40
Rot. Bonds20

About N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727778) has the molecular formula C18H37FN2O6 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727778
Molecular FormulaC18H37FN2O6
Molecular Weight396.50 g/mol
Exact Mass396.26
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C18H37FN2O6/c1-16(2)18(22)21-14-17(19)15-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20-3/h16-17,20H,4-15H2,1-3H3,(H,21,22)
InChIKeyKVMNTTXBILGNPX-UHFFFAOYSA-N
XLogP0.40
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727778) is N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CNCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is KVMNTTXBILGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FN2O6/c1-16(2)18(22)21-14-17(19)15-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20-3/h16-17,20H,4-15H2,1-3H3,(H,21,22).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 396.50 g/mol, XLogP of 0.40, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).