N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide

C13H27FN2O3 — CID 155739473

IUPACN-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide
SMILESCCC(=O)NCC(F)C(C)OCCOCCN(C)C
InChIInChI=1S/C13H27FN2O3/c1-5-13(17)15-10-12(14)11(2)19-9-8-18-7-6-16(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeyREHDEUZSNDFSJR-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.83
Rot. Bonds11

About N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide

N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide (PubChem CID 155739473) has the molecular formula C13H27FN2O3 and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide
PubChem CID155739473
Molecular FormulaC13H27FN2O3
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC NameN-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide
SMILESCCC(=O)NCC(F)C(C)OCCOCCN(C)C
InChIInChI=1S/C13H27FN2O3/c1-5-13(17)15-10-12(14)11(2)19-9-8-18-7-6-16(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeyREHDEUZSNDFSJR-UHFFFAOYSA-N
XLogP0.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
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
N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727681
N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727782
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
CID 138727784
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
CID 138727785
N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 138727791

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide?
The IUPAC name of N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide (CID 155739473) is N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide.
What is the SMILES notation for N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide?
The canonical SMILES for N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide is CCC(=O)NCC(F)C(C)OCCOCCN(C)C.
What is the InChIKey of N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide?
The InChIKey is REHDEUZSNDFSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O3/c1-5-13(17)15-10-12(14)11(2)19-9-8-18-7-6-16(3)4/h11-12H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide?
N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide has a molecular weight of 278.37 g/mol, XLogP of 0.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide is sourced from PubChem (CID 155739473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).