N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide

C13H28FN3O3 — CID 142623157

IUPACN-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCNCCOCCN
InChIInChI=1S/C13H28FN3O3/c1-11(18)17-10-12(14)13(2,3)20-9-6-16-5-8-19-7-4-15/h12,16H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyGHOGQUVXPCQXCT-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.18
Rot. Bonds12

About N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide

N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide (PubChem CID 142623157) has the molecular formula C13H28FN3O3 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide
PubChem CID142623157
Molecular FormulaC13H28FN3O3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCNCCOCCN
InChIInChI=1S/C13H28FN3O3/c1-11(18)17-10-12(14)13(2,3)20-9-6-16-5-8-19-7-4-15/h12,16H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyGHOGQUVXPCQXCT-UHFFFAOYSA-N
XLogP-0.18
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate
CID 138694229
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-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-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727075
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-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727266
N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
CID 138727597
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
CID 138727902
N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727987

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide?
The IUPAC name of N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide (CID 142623157) is N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide is CC(=O)NCC(F)C(C)(C)OCCNCCOCCN.
What is the InChIKey of N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide?
The InChIKey is GHOGQUVXPCQXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FN3O3/c1-11(18)17-10-12(14)13(2,3)20-9-6-16-5-8-19-7-4-15/h12,16H,4-10,15H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide?
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide has a molecular weight of 293.38 g/mol, XLogP of -0.18, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide is sourced from PubChem (CID 142623157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).