N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide

C12H15NO3 — CID 115166060

IUPACN-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCCOc1ccc(N(C)C(=O)C=O)cc1C
InChIInChI=1S/C12H15NO3/c1-4-16-11-6-5-10(7-9(11)2)13(3)12(15)8-14/h5-8H,4H2,1-3H3
InChIKeyWWHOPOYJIKKLJD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds4

About N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide

N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 115166060) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
PubChem CID115166060
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCCOc1ccc(N(C)C(=O)C=O)cc1C
InChIInChI=1S/C12H15NO3/c1-4-16-11-6-5-10(7-9(11)2)13(3)12(15)8-14/h5-8H,4H2,1-3H3
InChIKeyWWHOPOYJIKKLJD-UHFFFAOYSA-N
XLogP1.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162888
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
3-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylpropanamide
CID 115162416
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
CID 115174603
N-(2,3-dimethylphenyl)-4-ethoxy-N,3-dimethylbenzamide
CID 86938178
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797278
4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86938319

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide (CID 115166060) is N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide is CCOc1ccc(N(C)C(=O)C=O)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is WWHOPOYJIKKLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-16-11-6-5-10(7-9(11)2)13(3)12(15)8-14/h5-8H,4H2,1-3H3.
What are the key properties of N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide?
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).