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

C21H43FN2O5 — CID 155459912

IUPACN-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide
SMILESCCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C21H43FN2O5/c1-7-17(2)23-8-9-26-10-11-27-12-13-28-14-15-29-18(3)19(22)16-24-20(25)21(4,5)6/h17-19,23H,7-16H2,1-6H3,(H,24,25)
InChIKeyWPUILEOVUZZCEP-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.33
Rot. Bonds18

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

N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide (PubChem CID 155459912) has the molecular formula C21H43FN2O5 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide
PubChem CID155459912
Molecular FormulaC21H43FN2O5
Molecular Weight422.58 g/mol
Exact Mass422.32
IUPAC NameN-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide
SMILESCCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C21H43FN2O5/c1-7-17(2)23-8-9-26-10-11-27-12-13-28-14-15-29-18(3)19(22)16-24-20(25)21(4,5)6/h17-19,23H,7-16H2,1-6H3,(H,24,25)
InChIKeyWPUILEOVUZZCEP-UHFFFAOYSA-N
XLogP2.33
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.33
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-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide (CID 155459912) is N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide is CCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide?
The InChIKey is WPUILEOVUZZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43FN2O5/c1-7-17(2)23-8-9-26-10-11-27-12-13-28-14-15-29-18(3)19(22)16-24-20(25)21(4,5)6/h17-19,23H,7-16H2,1-6H3,(H,24,25).
What are the key properties of N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide?
N-[3-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide has a molecular weight of 422.58 g/mol, XLogP of 2.33, 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-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155459912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).