N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide

C15H29FN2O6 — CID 155405320

IUPACN-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C15H29FN2O6/c1-3-21-12-15(20)17-4-5-22-6-7-23-8-9-24-11-14(16)10-18-13(2)19/h14H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPYDTYIKPACLPMI-UHFFFAOYSA-N
MW352.40 g/mol
LogP-0.34
Rot. Bonds16

About N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide

N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide (PubChem CID 155405320) has the molecular formula C15H29FN2O6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide
PubChem CID155405320
Molecular FormulaC15H29FN2O6
Molecular Weight352.40 g/mol
Exact Mass352.20
IUPAC NameN-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C15H29FN2O6/c1-3-21-12-15(20)17-4-5-22-6-7-23-8-9-24-11-14(16)10-18-13(2)19/h14H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPYDTYIKPACLPMI-UHFFFAOYSA-N
XLogP-0.34
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide (CID 155405320) is N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCOCCOCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide?
The InChIKey is PYDTYIKPACLPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O6/c1-3-21-12-15(20)17-4-5-22-6-7-23-8-9-24-11-14(16)10-18-13(2)19/h14H,3-12H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide?
N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide has a molecular weight of 352.40 g/mol, XLogP of -0.34, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 155405320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).