N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide

C13H18N2O3 — CID 115191970

IUPACN'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
SMILESCCOc1ccc(CN(C)C(=O)C(N)=O)cc1C
InChIInChI=1S/C13H18N2O3/c1-4-18-11-6-5-10(7-9(11)2)8-15(3)13(17)12(14)16/h5-7H,4,8H2,1-3H3,(H2,14,16)
InChIKeyLXNRKSHPWSPVBA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds4

About N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide

N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide (PubChem CID 115191970) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
PubChem CID115191970
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
SMILESCCOc1ccc(CN(C)C(=O)C(N)=O)cc1C
InChIInChI=1S/C13H18N2O3/c1-4-18-11-6-5-10(7-9(11)2)8-15(3)13(17)12(14)16/h5-7H,4,8H2,1-3H3,(H2,14,16)
InChIKeyLXNRKSHPWSPVBA-UHFFFAOYSA-N
XLogP0.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]-2-oxoacetic acid
CID 115141390
3-[(4-ethoxy-3-methylphenyl)methyl-methylamino]propane-1-thiol
CID 115225008
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
2-[(4-ethoxy-3-methylphenyl)methoxy]-N',N'-dimethylacetohydrazide
CID 116847879
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
1-[(3-chloro-4-ethoxyphenyl)methyl]-1,3-dimethylurea
CID 115169236

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide?
The IUPAC name of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide (CID 115191970) is N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide is CCOc1ccc(CN(C)C(=O)C(N)=O)cc1C.
What is the InChIKey of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide?
The InChIKey is LXNRKSHPWSPVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-11-6-5-10(7-9(11)2)8-15(3)13(17)12(14)16/h5-7H,4,8H2,1-3H3,(H2,14,16).
What are the key properties of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide?
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide has a molecular weight of 250.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 115191970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).