N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

C20H41FN2O7 — CID 138727027

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H41FN2O7/c1-18(2)20(24)23-16-19(21)17-30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-25-5-4-22-3/h18-19,22H,4-17H2,1-3H3,(H,23,24)
InChIKeyJWBFBRHPPXNECT-UHFFFAOYSA-N
MW440.55 g/mol
LogP0.42
Rot. Bonds23

About N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727027) has the molecular formula C20H41FN2O7 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727027
Molecular FormulaC20H41FN2O7
Molecular Weight440.55 g/mol
Exact Mass440.29
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H41FN2O7/c1-18(2)20(24)23-16-19(21)17-30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-25-5-4-22-3/h18-19,22H,4-17H2,1-3H3,(H,23,24)
InChIKeyJWBFBRHPPXNECT-UHFFFAOYSA-N
XLogP0.42
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl]propanamide
CID 89669827
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-[2-[3-oxo-3-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89670087
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-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
CID 138726924
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-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
CID 138727028
N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727031
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727075
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-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727027) is N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CNCCOCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is JWBFBRHPPXNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FN2O7/c1-18(2)20(24)23-16-19(21)17-30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-25-5-4-22-3/h18-19,22H,4-17H2,1-3H3,(H,23,24).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 440.55 g/mol, XLogP of 0.42, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).