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

C12H16N2O4 — CID 2266332

IUPACN'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C12H16N2O4/c1-2-18-10-6-4-3-5-9(10)14-12(17)11(16)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyBHHVNZXIXAGJIC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.13
Rot. Bonds5

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

N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide (PubChem CID 2266332) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide
PubChem CID2266332
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C12H16N2O4/c1-2-18-10-6-4-3-5-9(10)14-12(17)11(16)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyBHHVNZXIXAGJIC-UHFFFAOYSA-N
XLogP0.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide (CID 2266332) is N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NCCO.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide?
The InChIKey is BHHVNZXIXAGJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-18-10-6-4-3-5-9(10)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-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide?
N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide has a molecular weight of 252.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 2266332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).