N-(4-ethylphenyl)-N-methyl-2-oxopropanamide

C12H15NO2 — CID 115175422

IUPACN-(4-ethylphenyl)-N-methyl-2-oxopropanamide
SMILESCCc1ccc(N(C)C(=O)C(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-4-10-5-7-11(8-6-10)13(3)12(15)9(2)14/h5-8H,4H2,1-3H3
InChIKeyAWAQNELNQTYKKQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds3

About N-(4-ethylphenyl)-N-methyl-2-oxopropanamide

N-(4-ethylphenyl)-N-methyl-2-oxopropanamide (PubChem CID 115175422) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-2-oxopropanamide
PubChem CID115175422
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4-ethylphenyl)-N-methyl-2-oxopropanamide
SMILESCCc1ccc(N(C)C(=O)C(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-4-10-5-7-11(8-6-10)13(3)12(15)9(2)14/h5-8H,4H2,1-3H3
InChIKeyAWAQNELNQTYKKQ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
CID 104903373
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187214
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463
1-(4-ethylphenyl)-1,2-dimethylguanidine
CID 62358606

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-2-oxopropanamide (CID 115175422) is N-(4-ethylphenyl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-2-oxopropanamide is CCc1ccc(N(C)C(=O)C(C)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-2-oxopropanamide?
The InChIKey is AWAQNELNQTYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-10-5-7-11(8-6-10)13(3)12(15)9(2)14/h5-8H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-2-oxopropanamide?
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide has a molecular weight of 205.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 115175422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).