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

C21H41FN2O6 — CID 157048797

IUPACN-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC=O
InChIInChI=1S/C21H41FN2O6/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/h18-20H,3-17H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWGDSKWUAHFZJCU-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.00
Rot. Bonds23

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

N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide (PubChem CID 157048797) has the molecular formula C21H41FN2O6 and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
PubChem CID157048797
Molecular FormulaC21H41FN2O6
Molecular Weight436.57 g/mol
Exact Mass436.29
IUPAC NameN-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC=O
InChIInChI=1S/C21H41FN2O6/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/h18-20H,3-17H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWGDSKWUAHFZJCU-UHFFFAOYSA-N
XLogP2.00
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
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': '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;propane
CID 157048796
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-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
CID 167191221
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]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
CID 155739614

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide (CID 157048797) is N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCCCOCCOCCCCCOCC(F)CNC=O.
What is the InChIKey of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide?
The InChIKey is WGDSKWUAHFZJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN2O6/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/h18-20H,3-17H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide?
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide has a molecular weight of 436.57 g/mol, XLogP of 2.00, 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 is sourced from PubChem (CID 157048797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).