N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide

C14H27FN2O5 — CID 156530167

IUPACN-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCOCCCOCC(F)CNC(C)=O
InChIInChI=1S/C14H27FN2O5/c1-12(18)17-9-13(15)10-22-8-4-7-21-6-3-5-16-14(19)11-20-2/h13H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNXILUNMWIVDSBL-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.04
Rot. Bonds14

About N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide

N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide (PubChem CID 156530167) has the molecular formula C14H27FN2O5 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide
PubChem CID156530167
Molecular FormulaC14H27FN2O5
Molecular Weight322.38 g/mol
Exact Mass322.19
IUPAC NameN-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCOCCCOCC(F)CNC(C)=O
InChIInChI=1S/C14H27FN2O5/c1-12(18)17-9-13(15)10-22-8-4-7-21-6-3-5-16-14(19)11-20-2/h13H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNXILUNMWIVDSBL-UHFFFAOYSA-N
XLogP0.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.04
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-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide (CID 156530167) is N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide is COCC(=O)NCCCOCCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide?
The InChIKey is NXILUNMWIVDSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O5/c1-12(18)17-9-13(15)10-22-8-4-7-21-6-3-5-16-14(19)11-20-2/h13H,3-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide?
N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide has a molecular weight of 322.38 g/mol, XLogP of 0.04, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-methoxyacetamide is sourced from PubChem (CID 156530167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).