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

C16H33FN2O5 — CID 142615855

IUPACN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
SMILESCCNCCOCCOCCOCCOCC(F)CNC(=O)CC
InChIInChI=1S/C16H33FN2O5/c1-3-16(20)19-13-15(17)14-24-12-11-23-10-9-22-8-7-21-6-5-18-4-2/h15,18H,3-14H2,1-2H3,(H,19,20)
InChIKeyLHVDUNAGJKEHSD-UHFFFAOYSA-N
MW352.45 g/mol
LogP0.53
Rot. Bonds18

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

N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide (PubChem CID 142615855) has the molecular formula C16H33FN2O5 and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
PubChem CID142615855
Molecular FormulaC16H33FN2O5
Molecular Weight352.45 g/mol
Exact Mass352.24
IUPAC NameN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
SMILESCCNCCOCCOCCOCCOCC(F)CNC(=O)CC
InChIInChI=1S/C16H33FN2O5/c1-3-16(20)19-13-15(17)14-24-12-11-23-10-9-22-8-7-21-6-5-18-4-2/h15,18H,3-14H2,1-2H3,(H,19,20)
InChIKeyLHVDUNAGJKEHSD-UHFFFAOYSA-N
XLogP0.53
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide (CID 142615855) is N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide is CCNCCOCCOCCOCCOCC(F)CNC(=O)CC.
What is the InChIKey of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The InChIKey is LHVDUNAGJKEHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O5/c1-3-16(20)19-13-15(17)14-24-12-11-23-10-9-22-8-7-21-6-5-18-4-2/h15,18H,3-14H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide?
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide has a molecular weight of 352.45 g/mol, XLogP of 0.53, 18 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]propanamide is sourced from PubChem (CID 142615855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).