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

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

N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 138727782) has the molecular formula C21H43FN2O6 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound Name	N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID	138727782
Molecular Formula	C21H43FN2O6
Molecular Weight	438.58 g/mol
Exact Mass	438.31
IUPAC Name	N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILES	CC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChI	InChI=1S/C21H43FN2O6/c1-17(2)21(25)24-16-20(22)19(5)30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-23-18(3)4/h17-20,23H,6-16H2,1-5H3,(H,24,25)
InChIKey	VIBBEPARMNVBOB-UHFFFAOYSA-N
XLogP	1.57
TPSA	87.28 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	21
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?

The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 138727782) is N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?

The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C.

What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?

The InChIKey is VIBBEPARMNVBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43FN2O6/c1-17(2)21(25)24-16-20(22)19(5)30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-23-18(3)4/h17-20,23H,6-16H2,1-5H3,(H,24,25).

What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?

N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 438.58 g/mol, XLogP of 1.57, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 138727782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).