N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide

C11H18N2O4 — CID 166103205

IUPACN'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NC12CC(C1)C2)OC
InChIInChI=1S/C11H18N2O4/c1-16-8(17-2)6-12-9(14)10(15)13-11-3-7(4-11)5-11/h7-8H,3-6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyNKJURVIDXFVGCD-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.61
Rot. Bonds5

About N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 166103205) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID166103205
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NC12CC(C1)C2)OC
InChIInChI=1S/C11H18N2O4/c1-16-8(17-2)6-12-9(14)10(15)13-11-3-7(4-11)5-11/h7-8H,3-6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyNKJURVIDXFVGCD-UHFFFAOYSA-N
XLogP-0.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide (CID 166103205) is N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)NC12CC(C1)C2)OC.
What is the InChIKey of N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is NKJURVIDXFVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-16-8(17-2)6-12-9(14)10(15)13-11-3-7(4-11)5-11/h7-8H,3-6H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 242.27 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 166103205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).