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

C15H29FN2O5 — CID 156558145

IUPACN-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCOCCCOCC(F)CNC(C)=O
InChIInChI=1S/C15H29FN2O5/c1-3-21-12-15(20)17-6-4-7-22-8-5-9-23-11-14(16)10-18-13(2)19/h14H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyTYMDOMOHOGLXFU-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.43
Rot. Bonds15

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

N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide (PubChem CID 156558145) has the molecular formula C15H29FN2O5 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide
PubChem CID156558145
Molecular FormulaC15H29FN2O5
Molecular Weight336.40 g/mol
Exact Mass336.21
IUPAC NameN-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCOCCCOCC(F)CNC(C)=O
InChIInChI=1S/C15H29FN2O5/c1-3-21-12-15(20)17-6-4-7-22-8-5-9-23-11-14(16)10-18-13(2)19/h14H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyTYMDOMOHOGLXFU-UHFFFAOYSA-N
XLogP0.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.43
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-ethoxyacetamide?
The IUPAC name of N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide (CID 156558145) is N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide is CCOCC(=O)NCCCOCCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide?
The InChIKey is TYMDOMOHOGLXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O5/c1-3-21-12-15(20)17-6-4-7-22-8-5-9-23-11-14(16)10-18-13(2)19/h14H,3-12H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide?
N-[3-[3-(3-acetamido-2-fluoropropoxy)propoxy]propyl]-2-ethoxyacetamide has a molecular weight of 336.40 g/mol, XLogP of 0.43, 15 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-ethoxyacetamide is sourced from PubChem (CID 156558145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).