2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

C14H21NO2 — CID 103920089

IUPAC2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-4-13(9-16)15-14(17)8-12-7-10(2)5-6-11(12)3/h5-7,13,16H,4,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyLUWJAHFHTKJVQU-CYBMUJFWSA-N
MW235.33 g/mol
LogP1.73
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (PubChem CID 103920089) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
PubChem CID103920089
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-4-13(9-16)15-14(17)8-12-7-10(2)5-6-11(12)3/h5-7,13,16H,4,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyLUWJAHFHTKJVQU-CYBMUJFWSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopentan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 65191208
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862
1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28570284
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (CID 103920089) is 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is CC[C@H](CO)NC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is LUWJAHFHTKJVQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-13(9-16)15-14(17)8-12-7-10(2)5-6-11(12)3/h5-7,13,16H,4,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 103920089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).