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

C14H29FN2O3 — CID 138726925

IUPACN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C14H29FN2O3/c1-11(2)14(18)17-9-13(15)10-20-8-7-19-6-5-16-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,18)
InChIKeySZBKUGYPYNQAPI-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.13
Rot. Bonds12

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

N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138726925) has the molecular formula C14H29FN2O3 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138726925
Molecular FormulaC14H29FN2O3
Molecular Weight292.39 g/mol
Exact Mass292.22
IUPAC NameN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C14H29FN2O3/c1-11(2)14(18)17-9-13(15)10-20-8-7-19-6-5-16-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,18)
InChIKeySZBKUGYPYNQAPI-UHFFFAOYSA-N
XLogP1.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138726925) is N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)NCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is SZBKUGYPYNQAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O3/c1-11(2)14(18)17-9-13(15)10-20-8-7-19-6-5-16-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 292.39 g/mol, XLogP of 1.13, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138726925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).