N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide

C17H17NO2 — CID 47121219

IUPACN-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H17NO2/c1-11-4-6-14(7-5-11)16(19)17(20)18-15-9-12(2)8-13(3)10-15/h4-10H,1-3H3,(H,18,20)
InChIKeyYZXOZLAWEIRZQP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.43
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 47121219) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID47121219
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H17NO2/c1-11-4-6-14(7-5-11)16(19)17(20)18-15-9-12(2)8-13(3)10-15/h4-10H,1-3H3,(H,18,20)
InChIKeyYZXOZLAWEIRZQP-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.43
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

N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121265
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide
CID 166438086
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 44998787
N-(3,5-dimethylphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198100
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 47121219) is N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is YZXOZLAWEIRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-6-14(7-5-11)16(19)17(20)18-15-9-12(2)8-13(3)10-15/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 267.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 47121219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).