N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide

C15H21NO3 — CID 82122182

IUPACN-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide
SMILESCOc1cc(C)c(C(=O)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C15H21NO3/c1-9-8-12(19-6)10(2)7-11(9)13(17)14(18)16-15(3,4)5/h7-8H,1-6H3,(H,16,18)
InChIKeyLSGBRBZTGLALFM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds3

About N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide

N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide (PubChem CID 82122182) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide
PubChem CID82122182
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide
SMILESCOc1cc(C)c(C(=O)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C15H21NO3/c1-9-8-12(19-6)10(2)7-11(9)13(17)14(18)16-15(3,4)5/h7-8H,1-6H3,(H,16,18)
InChIKeyLSGBRBZTGLALFM-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide (CID 82122182) is N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide is COc1cc(C)c(C(=O)C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide?
The InChIKey is LSGBRBZTGLALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-8-12(19-6)10(2)7-11(9)13(17)14(18)16-15(3,4)5/h7-8H,1-6H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide?
N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methoxy-2,5-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 82122182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).