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

C17H35FN2O5 — CID 156860720

IUPACN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide
SMILESCCCC(=O)NCC(F)COCCOCCOCCOCCNCC
InChIInChI=1S/C17H35FN2O5/c1-3-5-17(21)20-14-16(18)15-25-13-12-24-11-10-23-9-8-22-7-6-19-4-2/h16,19H,3-15H2,1-2H3,(H,20,21)
InChIKeyZOZOLGMSXKDUQT-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.92
Rot. Bonds19

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

N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide (PubChem CID 156860720) has the molecular formula C17H35FN2O5 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide
PubChem CID156860720
Molecular FormulaC17H35FN2O5
Molecular Weight366.47 g/mol
Exact Mass366.25
IUPAC NameN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide
SMILESCCCC(=O)NCC(F)COCCOCCOCCOCCNCC
InChIInChI=1S/C17H35FN2O5/c1-3-5-17(21)20-14-16(18)15-25-13-12-24-11-10-23-9-8-22-7-6-19-4-2/h16,19H,3-15H2,1-2H3,(H,20,21)
InChIKeyZOZOLGMSXKDUQT-UHFFFAOYSA-N
XLogP0.92
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide (CID 156860720) is N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide is CCCC(=O)NCC(F)COCCOCCOCCOCCNCC.
What is the InChIKey of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
The InChIKey is ZOZOLGMSXKDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FN2O5/c1-3-5-17(21)20-14-16(18)15-25-13-12-24-11-10-23-9-8-22-7-6-19-4-2/h16,19H,3-15H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide has a molecular weight of 366.47 g/mol, XLogP of 0.92, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide is sourced from PubChem (CID 156860720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).