2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide

C13H17NO3 — CID 82116584

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
SMILESCCOc1cc(C)c(C(=O)C(=O)NC)cc1C
InChIInChI=1S/C13H17NO3/c1-5-17-11-7-8(2)10(6-9(11)3)12(15)13(16)14-4/h6-7H,5H2,1-4H3,(H,14,16)
InChIKeyRUHXDYNSNJWWBN-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.63
Rot. Bonds4

About 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide

2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 82116584) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
PubChem CID82116584
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
SMILESCCOc1cc(C)c(C(=O)C(=O)NC)cc1C
InChIInChI=1S/C13H17NO3/c1-5-17-11-7-8(2)10(6-9(11)3)12(15)13(16)14-4/h6-7H,5H2,1-4H3,(H,14,16)
InChIKeyRUHXDYNSNJWWBN-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.63
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

2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide
CID 94275424
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
4-ethoxy-N-(2-hydroxyethyl)-2,5-dimethylbenzamide
CID 96661430
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
ethyl 2-(2,5-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552278
(Z)-2-(4-ethoxy-2,5-dimethylphenyl)but-2-enedioic acid
CID 82122325
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide (CID 82116584) is 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide is CCOc1cc(C)c(C(=O)C(=O)NC)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is RUHXDYNSNJWWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-5-17-11-7-8(2)10(6-9(11)3)12(15)13(16)14-4/h6-7H,5H2,1-4H3,(H,14,16).
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide?
2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 82116584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).