N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide

C19H21NO2 — CID 139115648

IUPACN-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
SMILESCN(C(=O)C(=O)c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H21NO2/c1-19(2,3)15-12-8-9-13-16(15)20(4)18(22)17(21)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKeyUFYKHYONYJTMID-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.83
Rot. Bonds3

About N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide

N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide (PubChem CID 139115648) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
PubChem CID139115648
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
SMILESCN(C(=O)C(=O)c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H21NO2/c1-19(2,3)15-12-8-9-13-16(15)20(4)18(22)17(21)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKeyUFYKHYONYJTMID-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
CID 84512216
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide (CID 139115648) is N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide is CN(C(=O)C(=O)c1ccccc1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide?
The InChIKey is UFYKHYONYJTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)15-12-8-9-13-16(15)20(4)18(22)17(21)14-10-6-5-7-11-14/h5-13H,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide?
N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide has a molecular weight of 295.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide is sourced from PubChem (CID 139115648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).