N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide

C13H18N2O4 — CID 124624780

IUPACN-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCCO)cc1
InChIInChI=1S/C13H18N2O4/c1-2-9-19-11-5-3-10(4-6-11)15-13(18)12(17)14-7-8-16/h3-6,16H,2,7-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyAVANCTHRZHIUDS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.52
Rot. Bonds6

About N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide

N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide (PubChem CID 124624780) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
PubChem CID124624780
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCCO)cc1
InChIInChI=1S/C13H18N2O4/c1-2-9-19-11-5-3-10(4-6-11)15-13(18)12(17)14-7-8-16/h3-6,16H,2,7-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyAVANCTHRZHIUDS-UHFFFAOYSA-N
XLogP0.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)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-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-(2-phenylethyl)-N'-(4-propoxyphenyl)oxamide
CID 2966854
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide (CID 124624780) is N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide?
The InChIKey is AVANCTHRZHIUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-9-19-11-5-3-10(4-6-11)15-13(18)12(17)14-7-8-16/h3-6,16H,2,7-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide?
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide has a molecular weight of 266.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 124624780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).