N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide

C13H25FN2O5 — CID 176934478

IUPACN-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide
SMILESCCCC(=O)NCC(F)COCCOCCNC(=O)CO
InChIInChI=1S/C13H25FN2O5/c1-2-3-12(18)16-8-11(14)10-21-7-6-20-5-4-15-13(19)9-17/h11,17H,2-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyKEZYJHNZMTVBEO-UHFFFAOYSA-N
MW308.35 g/mol
LogP-0.62
Rot. Bonds13

About N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide

N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide (PubChem CID 176934478) has the molecular formula C13H25FN2O5 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide
PubChem CID176934478
Molecular FormulaC13H25FN2O5
Molecular Weight308.35 g/mol
Exact Mass308.17
IUPAC NameN-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide
SMILESCCCC(=O)NCC(F)COCCOCCNC(=O)CO
InChIInChI=1S/C13H25FN2O5/c1-2-3-12(18)16-8-11(14)10-21-7-6-20-5-4-15-13(19)9-17/h11,17H,2-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyKEZYJHNZMTVBEO-UHFFFAOYSA-N
XLogP-0.62
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
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-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide (CID 176934478) is N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide is CCCC(=O)NCC(F)COCCOCCNC(=O)CO.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide?
The InChIKey is KEZYJHNZMTVBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O5/c1-2-3-12(18)16-8-11(14)10-21-7-6-20-5-4-15-13(19)9-17/h11,17H,2-10H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide?
N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide has a molecular weight of 308.35 g/mol, XLogP of -0.62, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]propyl]butanamide is sourced from PubChem (CID 176934478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).