N-ethenoxy-2-methylpropanamide

C6H11NO2 — CID 174437666

IUPACN-ethenoxy-2-methylpropanamide
SMILESC=CONC(=O)C(C)C
InChIInChI=1S/C6H11NO2/c1-4-9-7-6(8)5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
InChIKeyUDZCSKOUJNNKDO-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.83
Rot. Bonds3

About N-ethenoxy-2-methylpropanamide

N-ethenoxy-2-methylpropanamide (PubChem CID 174437666) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-ethenoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-ethenoxy-2-methylpropanamide
PubChem CID174437666
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-ethenoxy-2-methylpropanamide
SMILESC=CONC(=O)C(C)C
InChIInChI=1S/C6H11NO2/c1-4-9-7-6(8)5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
InChIKeyUDZCSKOUJNNKDO-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenoxy-2-methylpropanamide?
The IUPAC name of N-ethenoxy-2-methylpropanamide (CID 174437666) is N-ethenoxy-2-methylpropanamide.
What is the SMILES notation for N-ethenoxy-2-methylpropanamide?
The canonical SMILES for N-ethenoxy-2-methylpropanamide is C=CONC(=O)C(C)C.
What is the InChIKey of N-ethenoxy-2-methylpropanamide?
The InChIKey is UDZCSKOUJNNKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-9-7-6(8)5(2)3/h4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of N-ethenoxy-2-methylpropanamide?
N-ethenoxy-2-methylpropanamide has a molecular weight of 129.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenoxy-2-methylpropanamide is sourced from PubChem (CID 174437666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).