N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide

C12H22N2O3 — CID 56764336

IUPACN'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-13-11(16)12(17)14-8-10(15)9-6-4-3-5-7-9/h9-10,15H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeySQADCLZRMPXZOK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds4

About N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide

N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide (PubChem CID 56764336) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide.

Molecular Properties

Compound NameN'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide
PubChem CID56764336
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-13-11(16)12(17)14-8-10(15)9-6-4-3-5-7-9/h9-10,15H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeySQADCLZRMPXZOK-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
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-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide?
The IUPAC name of N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide (CID 56764336) is N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide.
What is the SMILES notation for N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide?
The canonical SMILES for N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide is CCNC(=O)C(=O)NCC(O)C1CCCCC1.
What is the InChIKey of N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide?
The InChIKey is SQADCLZRMPXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-13-11(16)12(17)14-8-10(15)9-6-4-3-5-7-9/h9-10,15H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide?
N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide has a molecular weight of 242.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexyl-2-hydroxyethyl)-N-ethyloxamide is sourced from PubChem (CID 56764336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).