N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide

C12H18N2O2 — CID 119784439

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C12H18N2O2/c1-9-5-3-4-6-10(9)11(15)7-14-12(16)8-13-2/h3-6,11,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyDGBXGOKLORNTDO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.36
Rot. Bonds5

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide (PubChem CID 119784439) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
PubChem CID119784439
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C12H18N2O2/c1-9-5-3-4-6-10(9)11(15)7-14-12(16)8-13-2/h3-6,11,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyDGBXGOKLORNTDO-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 75381614
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
CID 111120094
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
CID 111119954
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide (CID 119784439) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NCC(O)c1ccccc1C.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide?
The InChIKey is DGBXGOKLORNTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-3-4-6-10(9)11(15)7-14-12(16)8-13-2/h3-6,11,13,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119784439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).