N-tert-butyl-2-oxo-2-phenylacetamide

C12H15NO2 — CID 10965642

IUPACN-tert-butyl-2-oxo-2-phenylacetamide
SMILESCC(C)(C)NC(=O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,15)
InChIKeySVWOSRJNHDBRGF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds2

About N-tert-butyl-2-oxo-2-phenylacetamide

N-tert-butyl-2-oxo-2-phenylacetamide (PubChem CID 10965642) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-2-phenylacetamide
PubChem CID10965642
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-tert-butyl-2-oxo-2-phenylacetamide
SMILESCC(C)(C)NC(=O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,15)
InChIKeySVWOSRJNHDBRGF-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
[2-(tert-butylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2602250
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;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
3-hydroxy-3-methyl-1-phenylbutane-1,2-dione
CID 125490903
Lithium benzoate, 99%
CID 57451198
1-benzamido-3-tert-butylthiourea
CID 2743091
4,4-dimethyl-1-phenylpentane-1,2,3-trione
CID 13494400
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-2-phenylacetamide?
The IUPAC name of N-tert-butyl-2-oxo-2-phenylacetamide (CID 10965642) is N-tert-butyl-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-tert-butyl-2-oxo-2-phenylacetamide?
The canonical SMILES for N-tert-butyl-2-oxo-2-phenylacetamide is CC(C)(C)NC(=O)C(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-oxo-2-phenylacetamide?
The InChIKey is SVWOSRJNHDBRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-oxo-2-phenylacetamide?
N-tert-butyl-2-oxo-2-phenylacetamide has a molecular weight of 205.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-2-phenylacetamide is sourced from PubChem (CID 10965642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).