N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide

C12H15NO2 — CID 115166333

IUPACN-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCc1ccc(CN(C)C(=O)C=O)cc1C
InChIInChI=1S/C12H15NO2/c1-9-4-5-11(6-10(9)2)7-13(3)12(15)8-14/h4-6,8H,7H2,1-3H3
InChIKeyLBXKOBRYPNHNSD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.46
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide

N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide (PubChem CID 115166333) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
PubChem CID115166333
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCc1ccc(CN(C)C(=O)C=O)cc1C
InChIInChI=1S/C12H15NO2/c1-9-4-5-11(6-10(9)2)7-13(3)12(15)8-14/h4-6,8H,7H2,1-3H3
InChIKeyLBXKOBRYPNHNSD-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.46
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-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166361
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166358
1-[(3,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181912
3-[[(3,4-dimethylphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122018759
N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166354
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
3-[(3,4-dimethylphenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 117042949
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide (CID 115166333) is N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide is Cc1ccc(CN(C)C(=O)C=O)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide?
The InChIKey is LBXKOBRYPNHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-5-11(6-10(9)2)7-13(3)12(15)8-14/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide?
N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide has a molecular weight of 205.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).