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

C18H37FN2O4 — CID 138727785

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
SMILESCC(C)NCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C18H37FN2O4/c1-14(2)20-7-8-23-9-10-24-11-12-25-15(3)16(19)13-21-17(22)18(4,5)6/h14-16,20H,7-13H2,1-6H3,(H,21,22)
InChIKeyORPDOVDMZHLQKP-UHFFFAOYSA-N
MW364.50 g/mol
LogP1.92
Rot. Bonds14

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide (PubChem CID 138727785) has the molecular formula C18H37FN2O4 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
PubChem CID138727785
Molecular FormulaC18H37FN2O4
Molecular Weight364.50 g/mol
Exact Mass364.27
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
SMILESCC(C)NCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C18H37FN2O4/c1-14(2)20-7-8-23-9-10-24-11-12-25-15(3)16(19)13-21-17(22)18(4,5)6/h14-16,20H,7-13H2,1-6H3,(H,21,22)
InChIKeyORPDOVDMZHLQKP-UHFFFAOYSA-N
XLogP1.92
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide (CID 138727785) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide is CC(C)NCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The InChIKey is ORPDOVDMZHLQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FN2O4/c1-14(2)20-7-8-23-9-10-24-11-12-25-15(3)16(19)13-21-17(22)18(4,5)6/h14-16,20H,7-13H2,1-6H3,(H,21,22).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide has a molecular weight of 364.50 g/mol, XLogP of 1.92, 14 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]butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 138727785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).