N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide

C9H17NO2 — CID 103430292

IUPACN-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(CC)C(=O)C(C)(C)O
InChIInChI=1S/C9H17NO2/c1-5-7-10(6-2)8(11)9(3,4)12/h5,12H,1,6-7H2,2-4H3
InChIKeyXXTQAFLOVUHWRU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds4

About N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide

N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide (PubChem CID 103430292) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide
PubChem CID103430292
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(CC)C(=O)C(C)(C)O
InChIInChI=1S/C9H17NO2/c1-5-7-10(6-2)8(11)9(3,4)12/h5,12H,1,6-7H2,2-4H3
InChIKeyXXTQAFLOVUHWRU-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide (CID 103430292) is N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide is C=CCN(CC)C(=O)C(C)(C)O.
What is the InChIKey of N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is XXTQAFLOVUHWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7-10(6-2)8(11)9(3,4)12/h5,12H,1,6-7H2,2-4H3.
What are the key properties of N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide?
N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 103430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).