N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide

C15H22BrNO2 — CID 114151246

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCOCC(CCBr)NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H22BrNO2/c1-11-4-5-13(8-12(11)2)9-15(18)17-14(6-7-16)10-19-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyMOHHCYQUFSSABM-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.76
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide

N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 114151246) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID114151246
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCOCC(CCBr)NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H22BrNO2/c1-11-4-5-13(8-12(11)2)9-15(18)17-14(6-7-16)10-19-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyMOHHCYQUFSSABM-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 103799381
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
CID 106242904
N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 65190967
N-(4-bromo-1-methoxybutan-2-yl)-2,4-dimethylbenzamide
CID 114151279
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528
N-(4-bromo-1-methoxybutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 106156204
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
methyl (2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoate
CID 18157841
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide (CID 114151246) is N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide is COCC(CCBr)NC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is MOHHCYQUFSSABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11-4-5-13(8-12(11)2)9-15(18)17-14(6-7-16)10-19-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 328.25 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 114151246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).