N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide

C11H16N2O5 — CID 88863879

IUPACN-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
SMILESCC(=O)N(CC1CO1)C(=O)N(CC1CO1)C(C)=O
InChIInChI=1S/C11H16N2O5/c1-7(14)12(3-9-5-17-9)11(16)13(8(2)15)4-10-6-18-10/h9-10H,3-6H2,1-2H3
InChIKeyUCZJGAZRPPVUPG-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.40
Rot. Bonds4

About N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide

N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide (PubChem CID 88863879) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
PubChem CID88863879
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
SMILESCC(=O)N(CC1CO1)C(=O)N(CC1CO1)C(C)=O
InChIInChI=1S/C11H16N2O5/c1-7(14)12(3-9-5-17-9)11(16)13(8(2)15)4-10-6-18-10/h9-10H,3-6H2,1-2H3
InChIKeyUCZJGAZRPPVUPG-UHFFFAOYSA-N
XLogP-0.40
TPSA82.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The IUPAC name of N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide (CID 88863879) is N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide.
What is the SMILES notation for N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The canonical SMILES for N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide is CC(=O)N(CC1CO1)C(=O)N(CC1CO1)C(C)=O.
What is the InChIKey of N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The InChIKey is UCZJGAZRPPVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7(14)12(3-9-5-17-9)11(16)13(8(2)15)4-10-6-18-10/h9-10H,3-6H2,1-2H3.
What are the key properties of N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide has a molecular weight of 256.26 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide is sourced from PubChem (CID 88863879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).