N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide

C20H26N2O3 — CID 111122580

IUPACN-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide
SMILESCOc1ccc(C(CO)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-6-5-7-15(2)20(14)21-19(24)12-22(3)18(13-23)16-8-10-17(25-4)11-9-16/h5-11,18,23H,12-13H2,1-4H3,(H,21,24)
InChIKeyKSTDSDMRIIPGMD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.92
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide (PubChem CID 111122580) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide
PubChem CID111122580
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide
SMILESCOc1ccc(C(CO)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-6-5-7-15(2)20(14)21-19(24)12-22(3)18(13-23)16-8-10-17(25-4)11-9-16/h5-11,18,23H,12-13H2,1-4H3,(H,21,24)
InChIKeyKSTDSDMRIIPGMD-UHFFFAOYSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 9038911
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 46823246
N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 2574368
N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide (CID 111122580) is N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide is COc1ccc(C(CO)N(C)CC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide?
The InChIKey is KSTDSDMRIIPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-6-5-7-15(2)20(14)21-19(24)12-22(3)18(13-23)16-8-10-17(25-4)11-9-16/h5-11,18,23H,12-13H2,1-4H3,(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide is sourced from PubChem (CID 111122580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).