N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide

C12H15NO2 — CID 115166755

IUPACN-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
SMILESCc1ccccc1CCN(C)C(=O)C=O
InChIInChI=1S/C12H15NO2/c1-10-5-3-4-6-11(10)7-8-13(2)12(15)9-14/h3-6,9H,7-8H2,1-2H3
InChIKeySOHIGWGCLGRCAW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide

N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide (PubChem CID 115166755) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
PubChem CID115166755
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
SMILESCc1ccccc1CCN(C)C(=O)C=O
InChIInChI=1S/C12H15NO2/c1-10-5-3-4-6-11(10)7-8-13(2)12(15)9-14/h3-6,9H,7-8H2,1-2H3
InChIKeySOHIGWGCLGRCAW-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.19
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

1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
1-(hydroxymethyl)-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182456
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
3-(2-methylphenyl)propanal
CID 15191870
3-amino-4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 115181352
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166684
2-(2-methylphenyl)ethyl-propylcarbamic acid
CID 144705989
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide (CID 115166755) is N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide is Cc1ccccc1CCN(C)C(=O)C=O.
What is the InChIKey of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide?
The InChIKey is SOHIGWGCLGRCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-5-3-4-6-11(10)7-8-13(2)12(15)9-14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide?
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide has a molecular weight of 205.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 115166755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).