N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide

C14H27FN2O5 — CID 138727791

IUPACN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C
InChIInChI=1S/C14H27FN2O5/c1-11(2)22-10-14(19)16-4-5-20-6-7-21-9-13(15)8-17-12(3)18/h11,13H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXSPHKKHLVHQFPL-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.04
Rot. Bonds13

About N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide

N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 138727791) has the molecular formula C14H27FN2O5 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID138727791
Molecular FormulaC14H27FN2O5
Molecular Weight322.38 g/mol
Exact Mass322.19
IUPAC NameN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C
InChIInChI=1S/C14H27FN2O5/c1-11(2)22-10-14(19)16-4-5-20-6-7-21-9-13(15)8-17-12(3)18/h11,13H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXSPHKKHLVHQFPL-UHFFFAOYSA-N
XLogP0.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-{2-[2-(lactoylamino)ethoxy]ethoxy}ethyl)propanamide
CID 3238714
2-[2-[2-[[2-[2-(2-Aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 87646232
1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione
CID 12678065
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 21316317
1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 59533811
2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide
CID 88856956
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
CID 88856967
N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide
CID 129308456
2,3,3,3-tetrafluoro-N-[2-[2-[[2-fluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl]amino]ethoxy]ethyl]-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propanamide
CID 132175646
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
CID 138467265
N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide
CID 138727030

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 138727791) is N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide is CC(=O)NCC(F)COCCOCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is XSPHKKHLVHQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O5/c1-11(2)22-10-14(19)16-4-5-20-6-7-21-9-13(15)8-17-12(3)18/h11,13H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 322.38 g/mol, XLogP of 0.04, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 138727791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).