4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide

C15H22BrNO — CID 14230778

IUPAC4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCC(C)(CBr)CC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-14(2,11-16)10-13(18)17-15(3,4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,18)
InChIKeyHUDWGDAQUMWTIB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.85
Rot. Bonds5

About 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide

4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide (PubChem CID 14230778) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
PubChem CID14230778
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCC(C)(CBr)CC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-14(2,11-16)10-13(18)17-15(3,4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,18)
InChIKeyHUDWGDAQUMWTIB-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
2-iodo-N-(2-phenylpropan-2-yl)benzamide
CID 47444713
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
The IUPAC name of 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide (CID 14230778) is 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide.
What is the SMILES notation for 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
The canonical SMILES for 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide is CC(C)(CBr)CC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
The InChIKey is HUDWGDAQUMWTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-14(2,11-16)10-13(18)17-15(3,4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,18).
What are the key properties of 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide has a molecular weight of 312.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 14230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).