2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide

C7H12N2O3 — CID 89440730

IUPAC2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide
SMILESC=CCNC(=O)COCC(N)=O
InChIInChI=1S/C7H12N2O3/c1-2-3-9-7(11)5-12-4-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11)
InChIKeyOQYCGYSSJYDOJB-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.21
Rot. Bonds6

About 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide

2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide (PubChem CID 89440730) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide
PubChem CID89440730
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide
SMILESC=CCNC(=O)COCC(N)=O
InChIInChI=1S/C7H12N2O3/c1-2-3-9-7(11)5-12-4-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11)
InChIKeyOQYCGYSSJYDOJB-UHFFFAOYSA-N
XLogP-1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide (CID 89440730) is 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide is C=CCNC(=O)COCC(N)=O.
What is the InChIKey of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide?
The InChIKey is OQYCGYSSJYDOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-3-9-7(11)5-12-4-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11).
What are the key properties of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide?
2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide has a molecular weight of 172.18 g/mol, XLogP of -1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetamide is sourced from PubChem (CID 89440730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).