N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide

C12H25FN2O3 — CID 155405319

IUPACN-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide
SMILESCCNCCOCCOCC(F)CNC(=O)CC
InChIInChI=1S/C12H25FN2O3/c1-3-12(16)15-9-11(13)10-18-8-7-17-6-5-14-4-2/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyDEJWSVZLWDOBPL-UHFFFAOYSA-N
MW264.34 g/mol
LogP0.49
Rot. Bonds12

About N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide

N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide (PubChem CID 155405319) has the molecular formula C12H25FN2O3 and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide
PubChem CID155405319
Molecular FormulaC12H25FN2O3
Molecular Weight264.34 g/mol
Exact Mass264.18
IUPAC NameN-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide
SMILESCCNCCOCCOCC(F)CNC(=O)CC
InChIInChI=1S/C12H25FN2O3/c1-3-12(16)15-9-11(13)10-18-8-7-17-6-5-14-4-2/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyDEJWSVZLWDOBPL-UHFFFAOYSA-N
XLogP0.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.49
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

3-(2-acetamidoethoxy)propyl-trimethyl-azanium Chloride
CID 178377
1-Oxa-4,8-diazacycloundecan-5-one
CID 110201627
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 59874137
2,2,2-trifluoro-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 117790512
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
4-[2-[2-[2-[(4-Fluoro-4-oxobutanoyl)amino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl fluoride
CID 135291935
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-[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-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The IUPAC name of N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide (CID 155405319) is N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide.
What is the SMILES notation for N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The canonical SMILES for N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide is CCNCCOCCOCC(F)CNC(=O)CC.
What is the InChIKey of N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide?
The InChIKey is DEJWSVZLWDOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O3/c1-3-12(16)15-9-11(13)10-18-8-7-17-6-5-14-4-2/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide?
N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide has a molecular weight of 264.34 g/mol, XLogP of 0.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide is sourced from PubChem (CID 155405319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).