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

C14H27FN2O4 — CID 142623130

IUPACN-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCNC(=O)COC
InChIInChI=1S/C14H27FN2O4/c1-3-13(18)17-9-12(15)10-21-8-6-4-5-7-16-14(19)11-20-2/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNLYWRGPHMFRVGE-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.80
Rot. Bonds13

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

N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide (PubChem CID 142623130) has the molecular formula C14H27FN2O4 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide
PubChem CID142623130
Molecular FormulaC14H27FN2O4
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC NameN-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCNC(=O)COC
InChIInChI=1S/C14H27FN2O4/c1-3-13(18)17-9-12(15)10-21-8-6-4-5-7-16-14(19)11-20-2/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNLYWRGPHMFRVGE-UHFFFAOYSA-N
XLogP0.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.80
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-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide (CID 142623130) is N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide is CCC(=O)NCC(F)COCCCCCNC(=O)COC.
What is the InChIKey of N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide?
The InChIKey is NLYWRGPHMFRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O4/c1-3-13(18)17-9-12(15)10-21-8-6-4-5-7-16-14(19)11-20-2/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide?
N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide has a molecular weight of 306.38 g/mol, XLogP of 0.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide is sourced from PubChem (CID 142623130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).