N'-[(4-ethoxyphenyl)methyl]oxamide

C11H14N2O3 — CID 115191812

IUPACN'-[(4-ethoxyphenyl)methyl]oxamide
SMILESCCOc1ccc(CNC(=O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-2-16-9-5-3-8(4-6-9)7-13-11(15)10(12)14/h3-6H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUPRMRMYYJCHQCQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.19
Rot. Bonds4

About N'-[(4-ethoxyphenyl)methyl]oxamide

N'-[(4-ethoxyphenyl)methyl]oxamide (PubChem CID 115191812) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-[(4-ethoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-ethoxyphenyl)methyl]oxamide
PubChem CID115191812
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN'-[(4-ethoxyphenyl)methyl]oxamide
SMILESCCOc1ccc(CNC(=O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-2-16-9-5-3-8(4-6-9)7-13-11(15)10(12)14/h3-6H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUPRMRMYYJCHQCQ-UHFFFAOYSA-N
XLogP0.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
CID 125144994
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
2-[(4-ethoxyphenyl)methylamino]oxyacetamide
CID 112673119

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(4-ethoxyphenyl)methyl]oxamide (CID 115191812) is N'-[(4-ethoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-ethoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-ethoxyphenyl)methyl]oxamide is CCOc1ccc(CNC(=O)C(N)=O)cc1.
What is the InChIKey of N'-[(4-ethoxyphenyl)methyl]oxamide?
The InChIKey is UPRMRMYYJCHQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-16-9-5-3-8(4-6-9)7-13-11(15)10(12)14/h3-6H,2,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N'-[(4-ethoxyphenyl)methyl]oxamide?
N'-[(4-ethoxyphenyl)methyl]oxamide has a molecular weight of 222.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxyphenyl)methyl]oxamide is sourced from PubChem (CID 115191812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).