N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide

C9H18BrNO2 — CID 112604224

IUPACN-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide
SMILESCC(CCBr)NC(=O)COC(C)C
InChIInChI=1S/C9H18BrNO2/c1-7(2)13-6-9(12)11-8(3)4-5-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyRRXWTCVTJMPGNH-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.70
Rot. Bonds6

About N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide

N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide (PubChem CID 112604224) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide
PubChem CID112604224
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC NameN-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide
SMILESCC(CCBr)NC(=O)COC(C)C
InChIInChI=1S/C9H18BrNO2/c1-7(2)13-6-9(12)11-8(3)4-5-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyRRXWTCVTJMPGNH-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
CID 112604192
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
CID 115661966
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
N'-methyl-2-propan-2-yloxyacetohydrazide
CID 116820653
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
N-(4-bromobutan-2-yl)acetamide
CID 83179388
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
CID 20799020
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
CID 103920021

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide (CID 112604224) is N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide is CC(CCBr)NC(=O)COC(C)C.
What is the InChIKey of N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide?
The InChIKey is RRXWTCVTJMPGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-7(2)13-6-9(12)11-8(3)4-5-10/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide?
N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide has a molecular weight of 252.15 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).