N-ethyl-N'-(4-propoxyphenyl)oxamide

C13H18N2O3 — CID 124624762

IUPACN-ethyl-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-9-18-11-7-5-10(6-8-11)15-13(17)12(16)14-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFFIPWBVNGQKOKX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.55
Rot. Bonds5

About N-ethyl-N'-(4-propoxyphenyl)oxamide

N-ethyl-N'-(4-propoxyphenyl)oxamide (PubChem CID 124624762) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-ethyl-N'-(4-propoxyphenyl)oxamide
PubChem CID124624762
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-ethyl-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-9-18-11-7-5-10(6-8-11)15-13(17)12(16)14-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFFIPWBVNGQKOKX-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 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 ≤ 51.55
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-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
N-(2-phenylethyl)-N'-(4-propoxyphenyl)oxamide
CID 2966854
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
CID 138619746
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-ethyl-N'-(4-propoxyphenyl)oxamide (CID 124624762) is N-ethyl-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-ethyl-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-ethyl-N'-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-N'-(4-propoxyphenyl)oxamide?
The InChIKey is FFIPWBVNGQKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-9-18-11-7-5-10(6-8-11)15-13(17)12(16)14-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-ethyl-N'-(4-propoxyphenyl)oxamide?
N-ethyl-N'-(4-propoxyphenyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 124624762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).