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

C20H41FN2O6 — CID 155459710

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H41FN2O6/c1-17(2)20(24)23-15-19(21)16-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-22-18(3)4/h17-19,22H,5-16H2,1-4H3,(H,23,24)
InChIKeyVPTCVQCDHFJPBQ-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.18
Rot. Bonds21

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

N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 155459710) has the molecular formula C20H41FN2O6 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID155459710
Molecular FormulaC20H41FN2O6
Molecular Weight424.55 g/mol
Exact Mass424.29
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H41FN2O6/c1-17(2)20(24)23-15-19(21)16-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-22-18(3)4/h17-19,22H,5-16H2,1-4H3,(H,23,24)
InChIKeyVPTCVQCDHFJPBQ-UHFFFAOYSA-N
XLogP1.18
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 155459710) is N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-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]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)NCCOCCOCCOCCOCCOCC(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]propyl]-2-methylpropanamide?
The InChIKey is VPTCVQCDHFJPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FN2O6/c1-17(2)20(24)23-15-19(21)16-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-22-18(3)4/h17-19,22H,5-16H2,1-4H3,(H,23,24).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 424.55 g/mol, XLogP of 1.18, 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]propyl]-2-methylpropanamide is sourced from PubChem (CID 155459710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).