2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C14H21NO2 — CID 112704730

IUPAC2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)C(C)CO)c1
InChIInChI=1S/C14H21NO2/c1-10-5-6-11(2)13(7-10)8-14(17)15(4)12(3)9-16/h5-7,12,16H,8-9H2,1-4H3
InChIKeyXCFNCDMQXYGYOH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 112704730) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID112704730
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)C(C)CO)c1
InChIInChI=1S/C14H21NO2/c1-10-5-6-11(2)13(7-10)8-14(17)15(4)12(3)9-16/h5-7,12,16H,8-9H2,1-4H3
InChIKeyXCFNCDMQXYGYOH-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 55086579
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
CID 71859784
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388466
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 63393742
1-(2,5-dimethylphenyl)-3-hydroxybutan-2-one
CID 103451453
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 112704730) is 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is Cc1ccc(C)c(CC(=O)N(C)C(C)CO)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is XCFNCDMQXYGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-6-11(2)13(7-10)8-14(17)15(4)12(3)9-16/h5-7,12,16H,8-9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 112704730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).