N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide

C14H19NO2 — CID 115166354

IUPACN-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCCC(C)c1ccc(CN(C)C(=O)C=O)cc1
InChIInChI=1S/C14H19NO2/c1-4-11(2)13-7-5-12(6-8-13)9-15(3)14(17)10-16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyITAPEZZJSRSQLT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide

N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide (PubChem CID 115166354) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
PubChem CID115166354
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCCC(C)c1ccc(CN(C)C(=O)C=O)cc1
InChIInChI=1S/C14H19NO2/c1-4-11(2)13-7-5-12(6-8-13)9-15(3)14(17)10-16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyITAPEZZJSRSQLT-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
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-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139144
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166333
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166361
N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide (CID 115166354) is N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide is CCC(C)c1ccc(CN(C)C(=O)C=O)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
The InChIKey is ITAPEZZJSRSQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-11(2)13-7-5-12(6-8-13)9-15(3)14(17)10-16/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide has a molecular weight of 233.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).