2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide

C19H23NO2 — CID 71859784

IUPAC2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)C(C)c2cccc(O)c2)c1
InChIInChI=1S/C19H23NO2/c1-13-8-9-14(2)17(10-13)12-19(22)20(4)15(3)16-6-5-7-18(21)11-16/h5-11,15,21H,12H2,1-4H3
InChIKeyGFIUFBXQYFOAEW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.77
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide

2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide (PubChem CID 71859784) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
PubChem CID71859784
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)C(C)c2cccc(O)c2)c1
InChIInChI=1S/C19H23NO2/c1-13-8-9-14(2)17(10-13)12-19(22)20(4)15(3)16-6-5-7-18(21)11-16/h5-11,15,21H,12H2,1-4H3
InChIKeyGFIUFBXQYFOAEW-UHFFFAOYSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[1-(3-hydroxyphenyl)ethyl-methylamino]-2-oxoethyl]-3-methylbenzoic acid
CID 166275359
2-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735699
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 55086579
2-(2,5-dimethylphenyl)-N-(4-hydroxyphenyl)-N-methylacetamide
CID 62539015
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
3-[1-(N,4-dimethylanilino)ethyl]phenol
CID 82978141
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide (CID 71859784) is 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide is Cc1ccc(C)c(CC(=O)N(C)C(C)c2cccc(O)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is GFIUFBXQYFOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-8-9-14(2)17(10-13)12-19(22)20(4)15(3)16-6-5-7-18(21)11-16/h5-11,15,21H,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.77, 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-(3-hydroxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 71859784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).