2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide

C12H15NO3 — CID 43143434

IUPAC2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccccc1O
InChIInChI=1S/C12H15NO3/c1-3-8-13-12(15)9(2)16-11-7-5-4-6-10(11)14/h3-7,9,14H,1,8H2,2H3,(H,13,15)
InChIKeyZKNGMCMBEKVILT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.46
Rot. Bonds5

About 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide

2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide (PubChem CID 43143434) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
PubChem CID43143434
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccccc1O
InChIInChI=1S/C12H15NO3/c1-3-8-13-12(15)9(2)16-11-7-5-4-6-10(11)14/h3-7,9,14H,1,8H2,2H3,(H,13,15)
InChIKeyZKNGMCMBEKVILT-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.46
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-hydroxyphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide (CID 43143434) is 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is ZKNGMCMBEKVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-8-13-12(15)9(2)16-11-7-5-4-6-10(11)14/h3-7,9,14H,1,8H2,2H3,(H,13,15).
What are the key properties of 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide?
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 221.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43143434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).