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

C15H31FN2O5 — CID 155402016

IUPACN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCOCCNC
InChIInChI=1S/C15H31FN2O5/c1-3-15(19)18-12-14(16)13-23-11-10-22-9-8-21-7-6-20-5-4-17-2/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyPLISZSKMCQKXOU-UHFFFAOYSA-N
MW338.42 g/mol
LogP0.14
Rot. Bonds17

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

N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 155402016) has the molecular formula C15H31FN2O5 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID155402016
Molecular FormulaC15H31FN2O5
Molecular Weight338.42 g/mol
Exact Mass338.22
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCOCCNC
InChIInChI=1S/C15H31FN2O5/c1-3-15(19)18-12-14(16)13-23-11-10-22-9-8-21-7-6-20-5-4-17-2/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyPLISZSKMCQKXOU-UHFFFAOYSA-N
XLogP0.14
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 50.14
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-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide (CID 155402016) is N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCOCCOCCNC.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is PLISZSKMCQKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O5/c1-3-15(19)18-12-14(16)13-23-11-10-22-9-8-21-7-6-20-5-4-17-2/h14,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 338.42 g/mol, XLogP of 0.14, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 155402016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).