2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide

C20H21NO4 — CID 159346276

IUPAC2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide
SMILESCC(=O)C(=O)Cc1ccc(CC(=O)N(CCO)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-15(23)19(24)13-16-7-9-17(10-8-16)14-20(25)21(11-12-22)18-5-3-2-4-6-18/h2-10,22H,11-14H2,1H3
InChIKeyMGLAXUWSNIJFOT-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.96
Rot. Bonds8

About 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide

2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide (PubChem CID 159346276) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide
PubChem CID159346276
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide
SMILESCC(=O)C(=O)Cc1ccc(CC(=O)N(CCO)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-15(23)19(24)13-16-7-9-17(10-8-16)14-20(25)21(11-12-22)18-5-3-2-4-6-18/h2-10,22H,11-14H2,1H3
InChIKeyMGLAXUWSNIJFOT-UHFFFAOYSA-N
XLogP1.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide
CID 71523298
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)-N-phenylacetamide
CID 136576474
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-ethyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771447
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 82134140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide (CID 159346276) is 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide is CC(=O)C(=O)Cc1ccc(CC(=O)N(CCO)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide?
The InChIKey is MGLAXUWSNIJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-15(23)19(24)13-16-7-9-17(10-8-16)14-20(25)21(11-12-22)18-5-3-2-4-6-18/h2-10,22H,11-14H2,1H3.
What are the key properties of 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide?
2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide has a molecular weight of 339.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide is sourced from PubChem (CID 159346276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).