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

C20H39FN2O6 — CID 156530486

IUPACN-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC(C)=O
InChIInChI=1S/C20H39FN2O6/c1-18(24)23-15-19(21)16-29-12-8-4-7-11-28-14-13-27-10-6-3-5-9-22-20(25)17-26-2/h19H,3-17H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMNASGCSLOSTQNU-UHFFFAOYSA-N
MW422.54 g/mol
LogP1.61
Rot. Bonds21

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

N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide (PubChem CID 156530486) has the molecular formula C20H39FN2O6 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide
PubChem CID156530486
Molecular FormulaC20H39FN2O6
Molecular Weight422.54 g/mol
Exact Mass422.28
IUPAC NameN-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC(C)=O
InChIInChI=1S/C20H39FN2O6/c1-18(24)23-15-19(21)16-29-12-8-4-7-11-28-14-13-27-10-6-3-5-9-22-20(25)17-26-2/h19H,3-17H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMNASGCSLOSTQNU-UHFFFAOYSA-N
XLogP1.61
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 51.61
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-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide?
The IUPAC name of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide (CID 156530486) is N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide is COCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide?
The InChIKey is MNASGCSLOSTQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2O6/c1-18(24)23-15-19(21)16-29-12-8-4-7-11-28-14-13-27-10-6-3-5-9-22-20(25)17-26-2/h19H,3-17H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide?
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide has a molecular weight of 422.54 g/mol, XLogP of 1.61, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-methoxyacetamide is sourced from PubChem (CID 156530486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).