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

C17H35FN2O4 — CID 138727903

IUPACN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O4/c1-13(2)17(21)20-12-16(18)15(5)24-11-10-23-9-8-22-7-6-19-14(3)4/h13-16,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyQDCGUYZETNSGBQ-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.53
Rot. Bonds15

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 138727903) has the molecular formula C17H35FN2O4 and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID138727903
Molecular FormulaC17H35FN2O4
Molecular Weight350.48 g/mol
Exact Mass350.26
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O4/c1-13(2)17(21)20-12-16(18)15(5)24-11-10-23-9-8-22-7-6-19-14(3)4/h13-16,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyQDCGUYZETNSGBQ-UHFFFAOYSA-N
XLogP1.53
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.53
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

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-[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-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727031
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
CID 138727067
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
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
CID 138727265

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 138727903) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CC(C)NCCOCCOCCOC(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is QDCGUYZETNSGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FN2O4/c1-13(2)17(21)20-12-16(18)15(5)24-11-10-23-9-8-22-7-6-19-14(3)4/h13-16,19H,6-12H2,1-5H3,(H,20,21).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 350.48 g/mol, XLogP of 1.53, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 138727903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).