2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide

C18H22N2O3 — CID 111122600

IUPAC2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
SMILESCOc1ccc(C(CO)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-20(12-18(22)19-15-6-4-3-5-7-15)17(13-21)14-8-10-16(23-2)11-9-14/h3-11,17,21H,12-13H2,1-2H3,(H,19,22)
InChIKeyOZNDLYRXSPMVFW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.30
Rot. Bonds7

About 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide

2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide (PubChem CID 111122600) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
PubChem CID111122600
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
SMILESCOc1ccc(C(CO)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-20(12-18(22)19-15-6-4-3-5-7-15)17(13-21)14-8-10-16(23-2)11-9-14/h3-11,17,21H,12-13H2,1-2H3,(H,19,22)
InChIKeyOZNDLYRXSPMVFW-UHFFFAOYSA-N
XLogP2.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide
CID 111122580
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
2-[2-(benzenesulfinyl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111122551
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
3-benzyl-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122932
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide (CID 111122600) is 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide is COc1ccc(C(CO)N(C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide?
The InChIKey is OZNDLYRXSPMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(12-18(22)19-15-6-4-3-5-7-15)17(13-21)14-8-10-16(23-2)11-9-14/h3-11,17,21H,12-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide?
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide has a molecular weight of 314.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 111122600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).