N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane

C24H49FN2O6 — CID 157048796

IUPACN-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
SMILESCC(C)OCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC=O.CCC
InChIInChI=1S/C21H41FN2O6.C3H8/c1-19(2)30-17-21(26)24-9-5-3-6-10-27-13-14-28-11-7-4-8-12-29-16-20(22)15-23-18-25;1-3-2/h18-20H,3-17H2,1-2H3,(H,23,25)(H,24,26);3H2,1-2H3
InChIKeyGXFITMDLHYSLEM-UHFFFAOYSA-N
MW480.66 g/mol
LogP3.42
Rot. Bonds23

About N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane

N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane (PubChem CID 157048796) has the molecular formula C24H49FN2O6 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane.

Molecular Properties

Compound NameN-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
PubChem CID157048796
Molecular FormulaC24H49FN2O6
Molecular Weight480.66 g/mol
Exact Mass480.36
IUPAC NameN-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
SMILESCC(C)OCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC=O.CCC
InChIInChI=1S/C21H41FN2O6.C3H8/c1-19(2)30-17-21(26)24-9-5-3-6-10-27-13-14-28-11-7-4-8-12-29-16-20(22)15-23-18-25;1-3-2/h18-20H,3-17H2,1-2H3,(H,23,25)(H,24,26);3H2,1-2H3
InChIKeyGXFITMDLHYSLEM-UHFFFAOYSA-N
XLogP3.42
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
CID 157048797
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
CID 167191221
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
CID 155751945
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
CID 165106125
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
CID 155582507
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane?
The IUPAC name of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane (CID 157048796) is N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane.
What is the SMILES notation for N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane?
The canonical SMILES for N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane is CC(C)OCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC=O.CCC.
What is the InChIKey of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane?
The InChIKey is GXFITMDLHYSLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN2O6.C3H8/c1-19(2)30-17-21(26)24-9-5-3-6-10-27-13-14-28-11-7-4-8-12-29-16-20(22)15-23-18-25;1-3-2/h18-20H,3-17H2,1-2H3,(H,23,25)(H,24,26);3H2,1-2H3.
What are the key properties of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane?
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane has a molecular weight of 480.66 g/mol, XLogP of 3.42, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane is sourced from PubChem (CID 157048796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).