N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide

C12H16N2O3 — CID 115191824

IUPACN'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
SMILESCCc1cc(CNC(=O)C(N)=O)ccc1OC
InChIInChI=1S/C12H16N2O3/c1-3-9-6-8(4-5-10(9)17-2)7-14-12(16)11(13)15/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyXBTQGDOUUSORKJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.36
Rot. Bonds4

About N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide

N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide (PubChem CID 115191824) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
PubChem CID115191824
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
SMILESCCc1cc(CNC(=O)C(N)=O)ccc1OC
InChIInChI=1S/C12H16N2O3/c1-3-9-6-8(4-5-10(9)17-2)7-14-12(16)11(13)15/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyXBTQGDOUUSORKJ-UHFFFAOYSA-N
XLogP0.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide 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-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 115175101
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide (CID 115191824) is N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide is CCc1cc(CNC(=O)C(N)=O)ccc1OC.
What is the InChIKey of N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide?
The InChIKey is XBTQGDOUUSORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-9-6-8(4-5-10(9)17-2)7-14-12(16)11(13)15/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide?
N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide has a molecular weight of 236.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 115191824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).