N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide

C14H20N2O2 — CID 94267774

IUPACN-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCCN(C)C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-12(11(2)9-10)13(17)14(18)15-7-8-16(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,18)
InChIKeyOJRYZZHUVKWDGM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide

N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide (PubChem CID 94267774) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide
PubChem CID94267774
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCCN(C)C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-12(11(2)9-10)13(17)14(18)15-7-8-16(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,18)
InChIKeyOJRYZZHUVKWDGM-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 82120685
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
N-[2-(dimethylamino)ethyl]-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94274700
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
CID 100533680
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974554
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide (CID 94267774) is N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NCCN(C)C)c(C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide?
The InChIKey is OJRYZZHUVKWDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-12(11(2)9-10)13(17)14(18)15-7-8-16(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide?
N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 94267774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).