3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide

C14H19NO2 — CID 44560510

IUPAC3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-13(17)14(2,3)12(16)11-8-6-5-7-9-11/h4-9,12,16H,1,10H2,2-3H3,(H,15,17)
InChIKeyWQYNORCOKOITJE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.05
Rot. Bonds5

About 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide

3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 44560510) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide
PubChem CID44560510
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-13(17)14(2,3)12(16)11-8-6-5-7-9-11/h4-9,12,16H,1,10H2,2-3H3,(H,15,17)
InChIKeyWQYNORCOKOITJE-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
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 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide (CID 44560510) is 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is WQYNORCOKOITJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-15-13(17)14(2,3)12(16)11-8-6-5-7-9-11/h4-9,12,16H,1,10H2,2-3H3,(H,15,17).
What are the key properties of 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide?
3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 44560510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).