N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide

C13H18N2O4 — CID 108514458

IUPACN-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCCOc1ccc(NC(=O)C(=O)N(C)CCO)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-11-6-4-10(5-7-11)14-12(17)13(18)15(2)8-9-16/h4-7,16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyARUKVKBBOKQGMU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.47
Rot. Bonds5

About N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide

N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide (PubChem CID 108514458) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
PubChem CID108514458
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCCOc1ccc(NC(=O)C(=O)N(C)CCO)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-11-6-4-10(5-7-11)14-12(17)13(18)15(2)8-9-16/h4-7,16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyARUKVKBBOKQGMU-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxyethyl)-N-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502057
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
3-(4-ethoxyphenyl)-1,1-bis(2-hydroxyethyl)thiourea
CID 23855801
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide (CID 108514458) is N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide is CCOc1ccc(NC(=O)C(=O)N(C)CCO)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The InChIKey is ARUKVKBBOKQGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-11-6-4-10(5-7-11)14-12(17)13(18)15(2)8-9-16/h4-7,16H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide has a molecular weight of 266.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide is sourced from PubChem (CID 108514458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).