N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide

C13H25FN2O4 — CID 155739492

IUPACN-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCNC(=O)CO
InChIInChI=1S/C13H25FN2O4/c1-2-12(18)16-8-11(14)10-20-7-5-3-4-6-15-13(19)9-17/h11,17H,2-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyLJGQNUUPOAVJID-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.15
Rot. Bonds12

About N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide

N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide (PubChem CID 155739492) has the molecular formula C13H25FN2O4 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide
PubChem CID155739492
Molecular FormulaC13H25FN2O4
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCNC(=O)CO
InChIInChI=1S/C13H25FN2O4/c1-2-12(18)16-8-11(14)10-20-7-5-3-4-6-15-13(19)9-17/h11,17H,2-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyLJGQNUUPOAVJID-UHFFFAOYSA-N
XLogP0.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
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-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide (CID 155739492) is N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide is CCC(=O)NCC(F)COCCCCCNC(=O)CO.
What is the InChIKey of N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide?
The InChIKey is LJGQNUUPOAVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O4/c1-2-12(18)16-8-11(14)10-20-7-5-3-4-6-15-13(19)9-17/h11,17H,2-10H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide?
N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide has a molecular weight of 292.35 g/mol, XLogP of 0.15, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]propanamide is sourced from PubChem (CID 155739492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).