N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide

C16H23NO2 — CID 115166849

IUPACN-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
SMILESCc1ccc(C(C)C)cc1C(C)(C)CNC(=O)C=O
InChIInChI=1S/C16H23NO2/c1-11(2)13-7-6-12(3)14(8-13)16(4,5)10-17-15(19)9-18/h6-9,11H,10H2,1-5H3,(H,17,19)
InChIKeyUTEFFIXUNYBHEK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.71
Rot. Bonds5

About N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide

N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide (PubChem CID 115166849) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
PubChem CID115166849
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
SMILESCc1ccc(C(C)C)cc1C(C)(C)CNC(=O)C=O
InChIInChI=1S/C16H23NO2/c1-11(2)13-7-6-12(3)14(8-13)16(4,5)10-17-15(19)9-18/h6-9,11H,10H2,1-5H3,(H,17,19)
InChIKeyUTEFFIXUNYBHEK-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166817
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846
N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
CID 115191413
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
CID 116866612
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide?
The IUPAC name of N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide (CID 115166849) is N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide.
What is the SMILES notation for N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide?
The canonical SMILES for N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide is Cc1ccc(C(C)C)cc1C(C)(C)CNC(=O)C=O.
What is the InChIKey of N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide?
The InChIKey is UTEFFIXUNYBHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)13-7-6-12(3)14(8-13)16(4,5)10-17-15(19)9-18/h6-9,11H,10H2,1-5H3,(H,17,19).
What are the key properties of N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide?
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide has a molecular weight of 261.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide is sourced from PubChem (CID 115166849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).