N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide

C11H20N2O3 — CID 91546579

IUPACN-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide
SMILESCC(=O)N(C(=O)N(C)C(C)C)C(C)C1CO1
InChIInChI=1S/C11H20N2O3/c1-7(2)12(5)11(15)13(9(4)14)8(3)10-6-16-10/h7-8,10H,6H2,1-5H3
InChIKeyNZKJYKLSPIYQFX-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.08
Rot. Bonds3

About N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide

N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide (PubChem CID 91546579) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide
PubChem CID91546579
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide
SMILESCC(=O)N(C(=O)N(C)C(C)C)C(C)C1CO1
InChIInChI=1S/C11H20N2O3/c1-7(2)12(5)11(15)13(9(4)14)8(3)10-6-16-10/h7-8,10H,6H2,1-5H3
InChIKeyNZKJYKLSPIYQFX-UHFFFAOYSA-N
XLogP1.08
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide?
The IUPAC name of N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide (CID 91546579) is N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide?
The canonical SMILES for N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide is CC(=O)N(C(=O)N(C)C(C)C)C(C)C1CO1.
What is the InChIKey of N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide?
The InChIKey is NZKJYKLSPIYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)12(5)11(15)13(9(4)14)8(3)10-6-16-10/h7-8,10H,6H2,1-5H3.
What are the key properties of N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide?
N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide has a molecular weight of 228.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide is sourced from PubChem (CID 91546579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).