N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide

C12H22BrNO2 — CID 106143879

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)(CCBr)CNC(=O)CC1CCCO1
InChIInChI=1S/C12H22BrNO2/c1-12(2,5-6-13)9-14-11(15)8-10-4-3-7-16-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyUFVHTPDRELMCSM-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.48
Rot. Bonds6

About N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide

N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide (PubChem CID 106143879) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
PubChem CID106143879
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)(CCBr)CNC(=O)CC1CCCO1
InChIInChI=1S/C12H22BrNO2/c1-12(2,5-6-13)9-14-11(15)8-10-4-3-7-16-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyUFVHTPDRELMCSM-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
CID 106144658
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
CID 103899551
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(4-bromo-2,2-dimethylbutyl)-2-(thian-4-yl)acetamide
CID 106143717
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide
CID 107868161
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide (CID 106143879) is N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide is CC(C)(CCBr)CNC(=O)CC1CCCO1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is UFVHTPDRELMCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-12(2,5-6-13)9-14-11(15)8-10-4-3-7-16-10/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide?
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 292.22 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 106143879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).