N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide

C13H18N2O3 — CID 108521418

IUPACN'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCNC(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-14-12(17)13(18)15(8-9-16)10-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3,(H,14,17)
InChIKeyIZPAXXJXPUVDHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.14
Rot. Bonds5

About N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide

N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 108521418) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
PubChem CID108521418
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCNC(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-14-12(17)13(18)15(8-9-16)10-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3,(H,14,17)
InChIKeyIZPAXXJXPUVDHV-UHFFFAOYSA-N
XLogP0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)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'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N',N'-dibenzyl-N-(2-methylpropyl)oxamide
CID 108504849
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide (CID 108521418) is N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide is CCNC(=O)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is IZPAXXJXPUVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-14-12(17)13(18)15(8-9-16)10-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3,(H,14,17).
What are the key properties of N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide?
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108521418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).