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

C21H41FN2O6 — CID 167191221

IUPACN-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC(C)=O
InChIInChI=1S/C21H41FN2O6/c1-3-27-18-21(26)23-10-6-4-7-11-28-14-15-29-12-8-5-9-13-30-17-20(22)16-24-19(2)25/h20H,3-18H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVVZUAKMJJMWIEJ-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.00
Rot. Bonds22

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

N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide (PubChem CID 167191221) has the molecular formula C21H41FN2O6 and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
PubChem CID167191221
Molecular FormulaC21H41FN2O6
Molecular Weight436.57 g/mol
Exact Mass436.29
IUPAC NameN-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC(C)=O
InChIInChI=1S/C21H41FN2O6/c1-3-27-18-21(26)23-10-6-4-7-11-28-14-15-29-12-8-5-9-13-30-17-20(22)16-24-19(2)25/h20H,3-18H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVVZUAKMJJMWIEJ-UHFFFAOYSA-N
XLogP2.00
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.00
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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Related Compounds

N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
CID 157048796
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
CID 164556898
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
CID 167520055
N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide?
The IUPAC name of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide (CID 167191221) is N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide?
The canonical SMILES for N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide is CCOCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide?
The InChIKey is VVZUAKMJJMWIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN2O6/c1-3-27-18-21(26)23-10-6-4-7-11-28-14-15-29-12-8-5-9-13-30-17-20(22)16-24-19(2)25/h20H,3-18H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide?
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide has a molecular weight of 436.57 g/mol, XLogP of 2.00, 22 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-ethoxyacetamide is sourced from PubChem (CID 167191221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).