N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide

C14H21NO — CID 95875267

IUPACN-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
SMILESCC[C@H](C)NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-5-12(4)15-14(16)9-13-7-6-10(2)8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyRABHIUMYCHIGEE-LBPRGKRZSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide

N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 95875267) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
PubChem CID95875267
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
SMILESCC[C@H](C)NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-5-12(4)15-14(16)9-13-7-6-10(2)8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyRABHIUMYCHIGEE-LBPRGKRZSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2-methylphenyl)propyl]acetamide
CID 100759976
N-butan-2-yl-3-[[N-[(2,4-dimethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111937618
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045907
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide (CID 95875267) is N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide is CC[C@H](C)NC(=O)Cc1ccc(C)cc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is RABHIUMYCHIGEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-12(4)15-14(16)9-13-7-6-10(2)8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 219.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 95875267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).