N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide

C11H23FN2O2 — CID 138727067

IUPACN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)OCCNC(C)C
InChIInChI=1S/C11H23FN2O2/c1-8(2)13-5-6-16-9(3)11(12)7-14-10(4)15/h8-9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyKPIBUTCFFMVALV-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.86
Rot. Bonds8

About N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide (PubChem CID 138727067) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
PubChem CID138727067
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)OCCNC(C)C
InChIInChI=1S/C11H23FN2O2/c1-8(2)13-5-6-16-9(3)11(12)7-14-10(4)15/h8-9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyKPIBUTCFFMVALV-UHFFFAOYSA-N
XLogP0.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
N-[1-[2-[(2-fluoroacetyl)amino]propoxy]propan-2-yl]carbamoyl fluoride
CID 131979484
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
CID 138467265
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
CID 138727265
N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727782
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
CID 138727785
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
CID 138727902
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727903
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide
CID 138728409
N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
CID 138728501
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
CID 142615836

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide (CID 138727067) is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide is CC(=O)NCC(F)C(C)OCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
The InChIKey is KPIBUTCFFMVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-8(2)13-5-6-16-9(3)11(12)7-14-10(4)15/h8-9,11,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide?
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide has a molecular weight of 234.31 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide is sourced from PubChem (CID 138727067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).