N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

C16H33FN2O4 — CID 138727899

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C16H33FN2O4/c1-13(2)16(20)19-11-15(17)12-23-10-9-22-8-7-21-6-5-18-14(3)4/h13-15,18H,5-12H2,1-4H3,(H,19,20)
InChIKeyTUNCLZPGSQZKRX-UHFFFAOYSA-N
MW336.45 g/mol
LogP1.14
Rot. Bonds15

About N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727899) has the molecular formula C16H33FN2O4 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727899
Molecular FormulaC16H33FN2O4
Molecular Weight336.45 g/mol
Exact Mass336.24
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C16H33FN2O4/c1-13(2)16(20)19-11-15(17)12-23-10-9-22-8-7-21-6-5-18-14(3)4/h13-15,18H,5-12H2,1-4H3,(H,19,20)
InChIKeyTUNCLZPGSQZKRX-UHFFFAOYSA-N
XLogP1.14
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide 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-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727899) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)NCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is TUNCLZPGSQZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O4/c1-13(2)16(20)19-11-15(17)12-23-10-9-22-8-7-21-6-5-18-14(3)4/h13-15,18H,5-12H2,1-4H3,(H,19,20).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 336.45 g/mol, XLogP of 1.14, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).