N,2-bis(4-methylphenyl)-2-oxoacetamide

C16H15NO2 — CID 9115533

IUPACN,2-bis(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-11-3-7-13(8-4-11)15(18)16(19)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)
InChIKeyPABWTOFJJXWNKC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.12
Rot. Bonds3

About N,2-bis(4-methylphenyl)-2-oxoacetamide

N,2-bis(4-methylphenyl)-2-oxoacetamide (PubChem CID 9115533) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N,2-bis(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN,2-bis(4-methylphenyl)-2-oxoacetamide
PubChem CID9115533
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN,2-bis(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-11-3-7-13(8-4-11)15(18)16(19)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)
InChIKeyPABWTOFJJXWNKC-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.12
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

Tacedinaline
CID 2746
Ameltolide
CID 13086
Ar-42
CID 6918848
Benodanil
CID 27195
4'-Chloroacetyl(acetanilide)
CID 8805
2-Phenylamino-1,4-naphthoquinone
CID 81124
N-(9-oxo-9H-fluoren-2-yl)acetamide
CID 18355
5-Phenylisatin
CID 14810157
4-Dimethylaminochalcone
CID 5377268
4'-Methylbenzanilide
CID 68497
Benzanilide
CID 7168
Shellfish, unspecified
CID 584435

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N,2-bis(4-methylphenyl)-2-oxoacetamide (CID 9115533) is N,2-bis(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N,2-bis(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N,2-bis(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N,2-bis(4-methylphenyl)-2-oxoacetamide?
The InChIKey is PABWTOFJJXWNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-3-7-13(8-4-11)15(18)16(19)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19).
What are the key properties of N,2-bis(4-methylphenyl)-2-oxoacetamide?
N,2-bis(4-methylphenyl)-2-oxoacetamide has a molecular weight of 253.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 9115533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).