N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide

C12H15NO4 — CID 115166080

IUPACN-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1cc(N(C)C(=O)C=O)c(OC)cc1C
InChIInChI=1S/C12H15NO4/c1-8-5-11(17-4)9(6-10(8)16-3)13(2)12(15)7-14/h5-7H,1-4H3
InChIKeyWWUSXRJJLPNNGN-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.17
Rot. Bonds4

About N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide

N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 115166080) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
PubChem CID115166080
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1cc(N(C)C(=O)C=O)c(OC)cc1C
InChIInChI=1S/C12H15NO4/c1-8-5-11(17-4)9(6-10(8)16-3)13(2)12(15)7-14/h5-7H,1-4H3
InChIKeyWWUSXRJJLPNNGN-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
2-hydroxy-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115178640
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847
methyl 2-(4-methoxy-N,2,5-trimethylanilino)-2-oxoacetate
CID 115142263
1-methyl-1-(2,4,5-trimethoxyphenyl)urea
CID 115168286
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide (CID 115166080) is N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide is COc1cc(N(C)C(=O)C=O)c(OC)cc1C.
What is the InChIKey of N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is WWUSXRJJLPNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-5-11(17-4)9(6-10(8)16-3)13(2)12(15)7-14/h5-7H,1-4H3.
What are the key properties of N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide?
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 237.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).