N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide

C13H27FN2O3 — CID 142616170

IUPACN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCNC(C)C
InChIInChI=1S/C13H27FN2O3/c1-4-13(17)16-9-12(14)10-19-8-7-18-6-5-15-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyQZLMSNHCEQEMTB-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.88
Rot. Bonds12

About N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide (PubChem CID 142616170) has the molecular formula C13H27FN2O3 and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide
PubChem CID142616170
Molecular FormulaC13H27FN2O3
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC NameN-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCNC(C)C
InChIInChI=1S/C13H27FN2O3/c1-4-13(17)16-9-12(14)10-19-8-7-18-6-5-15-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyQZLMSNHCEQEMTB-UHFFFAOYSA-N
XLogP0.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 59874137
N-[1-[2-[(2-fluoroacetyl)amino]propoxy]propan-2-yl]carbamoyl fluoride
CID 131979484
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138726923
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727027
N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
CID 138727028
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
CID 138727067
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727262

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide (CID 142616170) is N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide?
The InChIKey is QZLMSNHCEQEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O3/c1-4-13(17)16-9-12(14)10-19-8-7-18-6-5-15-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide has a molecular weight of 278.37 g/mol, XLogP of 0.88, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 142616170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).