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

C15H31FN2O4 — CID 138727241

IUPACN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
SMILESCCNCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H31FN2O4/c1-4-17-5-6-20-7-8-21-9-10-22-12-14(16)11-18-15(19)13(2)3/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyIVTHFHZTSJIVKQ-UHFFFAOYSA-N
MW322.42 g/mol
LogP0.76
Rot. Bonds15

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

N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide (PubChem CID 138727241) has the molecular formula C15H31FN2O4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
PubChem CID138727241
Molecular FormulaC15H31FN2O4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
SMILESCCNCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H31FN2O4/c1-4-17-5-6-20-7-8-21-9-10-22-12-14(16)11-18-15(19)13(2)3/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyIVTHFHZTSJIVKQ-UHFFFAOYSA-N
XLogP0.76
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide (CID 138727241) is N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide is CCNCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The InChIKey is IVTHFHZTSJIVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O4/c1-4-17-5-6-20-7-8-21-9-10-22-12-14(16)11-18-15(19)13(2)3/h13-14,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide has a molecular weight of 322.42 g/mol, XLogP of 0.76, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide is sourced from PubChem (CID 138727241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).