N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide

C15H22BrNO — CID 114153294

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(C)(CCBr)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H22BrNO/c1-4-15(3,9-10-16)17-14(18)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyMRTMMLDHXCVQJX-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.61
Rot. Bonds6

About N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide

N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 114153294) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID114153294
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(C)(CCBr)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H22BrNO/c1-4-15(3,9-10-16)17-14(18)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyMRTMMLDHXCVQJX-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.61
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

N-(1-amino-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114152459
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide
CID 106169006
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
N-(1-bromo-3-methylpentan-3-yl)-4-phenylbutanamide
CID 114153222
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
CID 64558137
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 106356267
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide
CID 114153164
N-(1-chloro-3-methylpentan-3-yl)-2-naphthalen-2-ylacetamide
CID 106168408
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide (CID 114153294) is N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide is CCC(C)(CCBr)NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is MRTMMLDHXCVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-15(3,9-10-16)17-14(18)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide?
N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 312.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 114153294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).