N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide

About N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide

N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide (PubChem CID 155459913) has the molecular formula C22H45FN2O6 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide.

Molecular Properties

Compound Name	N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
PubChem CID	155459913
Molecular Formula	C22H45FN2O6
Molecular Weight	452.61 g/mol
Exact Mass	452.33
IUPAC Name	N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
SMILES	CCC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChI	InChI=1S/C22H45FN2O6/c1-6-19(4)24-7-8-27-9-10-28-11-12-29-13-14-30-15-16-31-20(5)21(23)17-25-22(26)18(2)3/h18-21,24H,6-17H2,1-5H3,(H,25,26)
InChIKey	WXUGCOPCPVAZPW-UHFFFAOYSA-N
XLogP	1.96
TPSA	87.28 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	22
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.61
LogP ≤ 5	1.96
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-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide?

The IUPAC name of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide (CID 155459913) is N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide is CCC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C.

What is the InChIKey of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide?

The InChIKey is WXUGCOPCPVAZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45FN2O6/c1-6-19(4)24-7-8-27-9-10-28-11-12-29-13-14-30-15-16-31-20(5)21(23)17-25-22(26)18(2)3/h18-21,24H,6-17H2,1-5H3,(H,25,26).

What are the key properties of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide?

N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide has a molecular weight of 452.61 g/mol, XLogP of 1.96, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide is sourced from PubChem (CID 155459913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).