N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide

C10H20BrNO3 — CID 106244897

IUPACN-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide
SMILESCOCC(Br)CCNC(=O)COC(C)C
InChIInChI=1S/C10H20BrNO3/c1-8(2)15-7-10(13)12-5-4-9(11)6-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyUYALITKRBKPTLF-UHFFFAOYSA-N
MW282.18 g/mol
LogP1.33
Rot. Bonds8

About N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide

N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide (PubChem CID 106244897) has the molecular formula C10H20BrNO3 and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide
PubChem CID106244897
Molecular FormulaC10H20BrNO3
Molecular Weight282.18 g/mol
Exact Mass281.06
IUPAC NameN-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide
SMILESCOCC(Br)CCNC(=O)COC(C)C
InChIInChI=1S/C10H20BrNO3/c1-8(2)15-7-10(13)12-5-4-9(11)6-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyUYALITKRBKPTLF-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide
CID 106245181
N-(3-bromo-4-methoxybutyl)dodecanamide
CID 106245142
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
N-(3-bromo-4-methoxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106245359
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
N-[2-(2-acetamidoethoxy)ethyl]-2-propan-2-yloxyacetamide
CID 142616646
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
N-(3-bromo-4-methoxybutyl)-2-(thian-4-yl)acetamide
CID 106245071
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide (CID 106244897) is N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide is COCC(Br)CCNC(=O)COC(C)C.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide?
The InChIKey is UYALITKRBKPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3/c1-8(2)15-7-10(13)12-5-4-9(11)6-14-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide?
N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide has a molecular weight of 282.18 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 106244897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).