N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide

C21H43FN2O6 — CID 138726924

IUPACN-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)C(C)(C)OCCOCCOCCOCCOCCNC
InChIInChI=1S/C21H43FN2O6/c1-6-18(2)20(25)24-17-19(22)21(3,4)30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-23-5/h18-19,23H,6-17H2,1-5H3,(H,24,25)
InChIKeyGSRAUPAAJAHXKD-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.57
Rot. Bonds21

About N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide

N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide (PubChem CID 138726924) has the molecular formula C21H43FN2O6 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
PubChem CID138726924
Molecular FormulaC21H43FN2O6
Molecular Weight438.58 g/mol
Exact Mass438.31
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)C(C)(C)OCCOCCOCCOCCOCCNC
InChIInChI=1S/C21H43FN2O6/c1-6-18(2)20(25)24-17-19(22)21(3,4)30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-23-5/h18-19,23H,6-17H2,1-5H3,(H,24,25)
InChIKeyGSRAUPAAJAHXKD-UHFFFAOYSA-N
XLogP1.57
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.57
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-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide (CID 138726924) is N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide is CCC(C)C(=O)NCC(F)C(C)(C)OCCOCCOCCOCCOCCNC.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
The InChIKey is GSRAUPAAJAHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43FN2O6/c1-6-18(2)20(25)24-17-19(22)21(3,4)30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-23-5/h18-19,23H,6-17H2,1-5H3,(H,24,25).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide has a molecular weight of 438.58 g/mol, XLogP of 1.57, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide is sourced from PubChem (CID 138726924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).