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

C9H16N2O3 — CID 91196229

IUPACN-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
SMILESCCN(C)C(=O)N(CC1CO1)C(C)=O
InChIInChI=1S/C9H16N2O3/c1-4-10(3)9(13)11(7(2)12)5-8-6-14-8/h8H,4-6H2,1-3H3
InChIKeyIPYQLGUZSUHYJW-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.31
Rot. Bonds3

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

N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide (PubChem CID 91196229) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
PubChem CID91196229
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
SMILESCCN(C)C(=O)N(CC1CO1)C(C)=O
InChIInChI=1S/C9H16N2O3/c1-4-10(3)9(13)11(7(2)12)5-8-6-14-8/h8H,4-6H2,1-3H3
InChIKeyIPYQLGUZSUHYJW-UHFFFAOYSA-N
XLogP0.31
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.31
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-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The IUPAC name of N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide (CID 91196229) is N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide.
What is the SMILES notation for N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The canonical SMILES for N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide is CCN(C)C(=O)N(CC1CO1)C(C)=O.
What is the InChIKey of N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
The InChIKey is IPYQLGUZSUHYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-10(3)9(13)11(7(2)12)5-8-6-14-8/h8H,4-6H2,1-3H3.
What are the key properties of N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide?
N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide has a molecular weight of 200.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide is sourced from PubChem (CID 91196229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).