N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide

C13H25FN2O4 — CID 155404657

IUPACN-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCOCC(F)CNC(C)=O
InChIInChI=1S/C13H25FN2O4/c1-11(17)16-8-12(14)9-20-7-5-3-4-6-15-13(18)10-19-2/h12H,3-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGQSMGLFWCHEFEP-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.41
Rot. Bonds12

About N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide

N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide (PubChem CID 155404657) has the molecular formula C13H25FN2O4 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide
PubChem CID155404657
Molecular FormulaC13H25FN2O4
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCOCC(F)CNC(C)=O
InChIInChI=1S/C13H25FN2O4/c1-11(17)16-8-12(14)9-20-7-5-3-4-6-15-13(18)10-19-2/h12H,3-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGQSMGLFWCHEFEP-UHFFFAOYSA-N
XLogP0.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.41
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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Related Compounds

CID 118151604
CID 118151604
CID 138727678
CID 138727678
CID 138727998
CID 138727998
CID 142616547
CID 142616547
CID 142623130
CID 142623130
CID 155411003
CID 155411003
CID 155739492
CID 155739492
CID 155741111
CID 155741111
CID 155752264
CID 155752264
CID 156530167
CID 156530167
CID 156530486
CID 156530486
CID 156558145
CID 156558145

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide?
The IUPAC name of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide (CID 155404657) is N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide?
The canonical SMILES for N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide is COCC(=O)NCCCCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide?
The InChIKey is GQSMGLFWCHEFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O4/c1-11(17)16-8-12(14)9-20-7-5-3-4-6-15-13(18)10-19-2/h12H,3-10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide?
N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide has a molecular weight of 292.35 g/mol, XLogP of 0.41, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide is sourced from PubChem (CID 155404657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).