N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide

C15H22BrNO — CID 114149387

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(C)CCBr)c1
InChIInChI=1S/C15H22BrNO/c1-12-5-4-6-13(9-12)10-14(18)17-11-15(2,3)7-8-16/h4-6,9H,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeyBGSMCXWUZPEJKD-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.46
Rot. Bonds6

About N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide

N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide (PubChem CID 114149387) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
PubChem CID114149387
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(C)CCBr)c1
InChIInChI=1S/C15H22BrNO/c1-12-5-4-6-13(9-12)10-14(18)17-11-15(2,3)7-8-16/h4-6,9H,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeyBGSMCXWUZPEJKD-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
N-(4-bromo-2,2-dimethylbutyl)-3-(3-methylphenyl)propanamide
CID 114149455
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114307937
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(3-methylphenyl)acetamide
CID 95368841
N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
CID 114149390
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide (CID 114149387) is N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(C)(C)CCBr)c1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
The InChIKey is BGSMCXWUZPEJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-5-4-6-13(9-12)10-14(18)17-11-15(2,3)7-8-16/h4-6,9H,7-8,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide has a molecular weight of 312.25 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 114149387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).