N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide

C17H26BrNO — CID 107156584

IUPACN-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(Br)CC(C)(C)C)cc1C
InChIInChI=1S/C17H26BrNO/c1-12-6-7-14(8-13(12)2)9-16(20)19-11-15(18)10-17(3,4)5/h6-8,15H,9-11H2,1-5H3,(H,19,20)
InChIKeyJPDGIXNDUXOGKX-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.16
Rot. Bonds5

About N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide

N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 107156584) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID107156584
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(Br)CC(C)(C)C)cc1C
InChIInChI=1S/C17H26BrNO/c1-12-6-7-14(8-13(12)2)9-16(20)19-11-15(18)10-17(3,4)5/h6-8,15H,9-11H2,1-5H3,(H,19,20)
InChIKeyJPDGIXNDUXOGKX-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.16
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-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 107156403
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
N-(2-bromo-4,4-dimethylpentyl)-3-phenylpropanamide
CID 107156726
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62553286
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593635
4,4-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]pentanoic acid
CID 107473898
5-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682556
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide (CID 107156584) is N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCC(Br)CC(C)(C)C)cc1C.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is JPDGIXNDUXOGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12-6-7-14(8-13(12)2)9-16(20)19-11-15(18)10-17(3,4)5/h6-8,15H,9-11H2,1-5H3,(H,19,20).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide?
N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 340.31 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 107156584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).