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

C15H31FN2O4 — CID 155455224

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCNC(C)C
InChIInChI=1S/C15H31FN2O4/c1-4-15(19)18-11-14(16)12-22-10-9-21-8-7-20-6-5-17-13(2)3/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyZJULFMDYXKJUBP-UHFFFAOYSA-N
MW322.42 g/mol
LogP0.90
Rot. Bonds15

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 155455224) has the molecular formula C15H31FN2O4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID155455224
Molecular FormulaC15H31FN2O4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCNC(C)C
InChIInChI=1S/C15H31FN2O4/c1-4-15(19)18-11-14(16)12-22-10-9-21-8-7-20-6-5-17-13(2)3/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyZJULFMDYXKJUBP-UHFFFAOYSA-N
XLogP0.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 50.90
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]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide (CID 155455224) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCOCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is ZJULFMDYXKJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O4/c1-4-15(19)18-11-14(16)12-22-10-9-21-8-7-20-6-5-17-13(2)3/h13-14,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 322.42 g/mol, XLogP of 0.90, 15 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]propyl]propanamide is sourced from PubChem (CID 155455224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).