2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide

C12H16N2O3 — CID 22886924

IUPAC2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide
SMILESCN(C)c1ccc(C(=O)C(=O)NCCO)cc1
InChIInChI=1S/C12H16N2O3/c1-14(2)10-5-3-9(4-6-10)11(16)12(17)13-7-8-15/h3-6,15H,7-8H2,1-2H3,(H,13,17)
InChIKeyKYHRHUPGAOSSOS-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.04
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide

2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide (PubChem CID 22886924) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide
PubChem CID22886924
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide
SMILESCN(C)c1ccc(C(=O)C(=O)NCCO)cc1
InChIInChI=1S/C12H16N2O3/c1-14(2)10-5-3-9(4-6-10)11(16)12(17)13-7-8-15/h3-6,15H,7-8H2,1-2H3,(H,13,17)
InChIKeyKYHRHUPGAOSSOS-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 37216672
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-(dimethylamino)ethyl]-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94274700
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
methyl 4-[4-(dimethylamino)phenyl]-3-(2-hydroxyethylamino)-4-oxobutanoate
CID 82349138
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644906
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
4-[[2-[4-(dimethylamino)phenyl]-2-oxoacetyl]amino]benzenesulfonic acid
CID 87608037
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide (CID 22886924) is 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide is CN(C)c1ccc(C(=O)C(=O)NCCO)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The InChIKey is KYHRHUPGAOSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(2)10-5-3-9(4-6-10)11(16)12(17)13-7-8-15/h3-6,15H,7-8H2,1-2H3,(H,13,17).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide?
2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide has a molecular weight of 236.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide is sourced from PubChem (CID 22886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).