N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide

C12H16N2O3 — CID 2290848

IUPACN'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C12H16N2O3/c1-2-9-5-3-4-6-10(9)14-12(17)11(16)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyOFBXGSWOKFZOKA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.30
Rot. Bonds4

About N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide

N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide (PubChem CID 2290848) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide
PubChem CID2290848
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C12H16N2O3/c1-2-9-5-3-4-6-10(9)14-12(17)11(16)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyOFBXGSWOKFZOKA-UHFFFAOYSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide (CID 2290848) is N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide is CCc1ccccc1NC(=O)C(=O)NCCO.
What is the InChIKey of N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide?
The InChIKey is OFBXGSWOKFZOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9-5-3-4-6-10(9)14-12(17)11(16)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide?
N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide has a molecular weight of 236.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 2290848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).