N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide

C24H47FN2O8 — CID 138727030

IUPACN-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide
SMILESCCCC(CCC)OCC(=O)NCCOCCOCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C24H47FN2O8/c1-4-6-23(7-5-2)35-20-24(29)26-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-19-22(25)18-27-21(3)28/h22-23H,4-20H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyMELMDOVCJGBJLU-UHFFFAOYSA-N
MW510.64 g/mol
LogP1.65
Rot. Bonds26

About N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide

N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide (PubChem CID 138727030) has the molecular formula C24H47FN2O8 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide
PubChem CID138727030
Molecular FormulaC24H47FN2O8
Molecular Weight510.64 g/mol
Exact Mass510.33
IUPAC NameN-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide
SMILESCCCC(CCC)OCC(=O)NCCOCCOCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C24H47FN2O8/c1-4-6-23(7-5-2)35-20-24(29)26-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-19-22(25)18-27-21(3)28/h22-23H,4-20H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyMELMDOVCJGBJLU-UHFFFAOYSA-N
XLogP1.65
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide (CID 138727030) is N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide is CCCC(CCC)OCC(=O)NCCOCCOCCOCCOCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide?
The InChIKey is MELMDOVCJGBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47FN2O8/c1-4-6-23(7-5-2)35-20-24(29)26-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-19-22(25)18-27-21(3)28/h22-23H,4-20H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide?
N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide has a molecular weight of 510.64 g/mol, XLogP of 1.65, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide is sourced from PubChem (CID 138727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).