3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide

C19H22N2O3 — CID 111540238

IUPAC3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CCNC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(2)19(24)16-10-6-7-14(13-16)11-12-20-18(23)17(22)15-8-4-3-5-9-15/h3-10,13,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyJRGFHZPGCUUWOI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.78
Rot. Bonds6

About 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide

3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide (PubChem CID 111540238) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
PubChem CID111540238
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CCNC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(2)19(24)16-10-6-7-14(13-16)11-12-20-18(23)17(22)15-8-4-3-5-9-15/h3-10,13,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyJRGFHZPGCUUWOI-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
3-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669098
3-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111668254
3-[2-[[N-ethyl-N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669888
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
N,N-dimethyl-3-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111771916
N,N-dimethyl-3-[2-[[N'-methyl-N-(3-phenylsulfanylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111669158
3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819607
3-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 75407728
3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802952
N,N-dimethyl-3-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111669109

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide (CID 111540238) is 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CCNC(=O)C(O)c2ccccc2)c1.
What is the InChIKey of 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide?
The InChIKey is JRGFHZPGCUUWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)19(24)16-10-6-7-14(13-16)11-12-20-18(23)17(22)15-8-4-3-5-9-15/h3-10,13,17,22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide?
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111540238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).