N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide

C19H39FN2O6 — CID 147243604

IUPACN-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
SMILESCCNCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C19H39FN2O6/c1-4-21-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-16-18(20)15-22-19(23)17(2)3/h17-18,21H,4-16H2,1-3H3,(H,22,23)
InChIKeyCLGJQVNGCHSARX-UHFFFAOYSA-N
MW410.53 g/mol
LogP0.79
Rot. Bonds21

About N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide

N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide (PubChem CID 147243604) has the molecular formula C19H39FN2O6 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
PubChem CID147243604
Molecular FormulaC19H39FN2O6
Molecular Weight410.53 g/mol
Exact Mass410.28
IUPAC NameN-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
SMILESCCNCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C19H39FN2O6/c1-4-21-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-16-18(20)15-22-19(23)17(2)3/h17-18,21H,4-16H2,1-3H3,(H,22,23)
InChIKeyCLGJQVNGCHSARX-UHFFFAOYSA-N
XLogP0.79
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 50.79
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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Related Compounds

N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
CID 164556898
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
CID 167242610
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
CID 155706815
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 166118081
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutanamide
CID 156861015
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide (CID 147243604) is N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide is CCNCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The InChIKey is CLGJQVNGCHSARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39FN2O6/c1-4-21-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-16-18(20)15-22-19(23)17(2)3/h17-18,21H,4-16H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide has a molecular weight of 410.53 g/mol, XLogP of 0.79, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide is sourced from PubChem (CID 147243604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).