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

C10H16N2O4 — CID 123919780

IUPACN-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
SMILESCC(=O)N(CC1CO1)C(=O)N(C)CC1CO1
InChIInChI=1S/C10H16N2O4/c1-7(13)12(4-9-6-16-9)10(14)11(2)3-8-5-15-8/h8-9H,3-6H2,1-2H3
InChIKeyUBAMRFBHJTXFPJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.32
Rot. Bonds4

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

N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide (PubChem CID 123919780) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
PubChem CID123919780
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
SMILESCC(=O)N(CC1CO1)C(=O)N(C)CC1CO1
InChIInChI=1S/C10H16N2O4/c1-7(13)12(4-9-6-16-9)10(14)11(2)3-8-5-15-8/h8-9H,3-6H2,1-2H3
InChIKeyUBAMRFBHJTXFPJ-UHFFFAOYSA-N
XLogP-0.32
TPSA65.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The IUPAC name of N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide (CID 123919780) is N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide.
What is the SMILES notation for N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The canonical SMILES for N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide is CC(=O)N(CC1CO1)C(=O)N(C)CC1CO1.
What is the InChIKey of N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The InChIKey is UBAMRFBHJTXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(13)12(4-9-6-16-9)10(14)11(2)3-8-5-15-8/h8-9H,3-6H2,1-2H3.
What are the key properties of N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide has a molecular weight of 228.25 g/mol, XLogP of -0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide is sourced from PubChem (CID 123919780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).