N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide

C10H20BrNO3 — CID 112604028

IUPACN-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide
SMILESCOCC(Br)CN(C)C(=O)COC(C)C
InChIInChI=1S/C10H20BrNO3/c1-8(2)15-7-10(13)12(3)5-9(11)6-14-4/h8-9H,5-7H2,1-4H3
InChIKeySKVWZYVOZBQJAA-UHFFFAOYSA-N
MW282.18 g/mol
LogP1.28
Rot. Bonds7

About N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide

N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide (PubChem CID 112604028) has the molecular formula C10H20BrNO3 and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide
PubChem CID112604028
Molecular FormulaC10H20BrNO3
Molecular Weight282.18 g/mol
Exact Mass281.06
IUPAC NameN-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide
SMILESCOCC(Br)CN(C)C(=O)COC(C)C
InChIInChI=1S/C10H20BrNO3/c1-8(2)15-7-10(13)12(3)5-9(11)6-14-4/h8-9H,5-7H2,1-4H3
InChIKeySKVWZYVOZBQJAA-UHFFFAOYSA-N
XLogP1.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide
CID 80671744
N-(2-bromo-3-methoxypropyl)-N-methyl-2-methylsulfonylpropanamide
CID 104522307
N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
CID 80670667
N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103558209
N-(2-bromo-3-methoxypropyl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 80671968
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(thian-4-yl)acetamide
CID 83136985
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 112697996
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 80671745
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 80671637
N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide
CID 106244897

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide (CID 112604028) is N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide is COCC(Br)CN(C)C(=O)COC(C)C.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide?
The InChIKey is SKVWZYVOZBQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3/c1-8(2)15-7-10(13)12(3)5-9(11)6-14-4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide?
N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide has a molecular weight of 282.18 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).