3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide

C22H25NO2 — CID 44560413

IUPAC3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C(O)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C22H25NO2/c1-4-16-23-21(25)22(2,3)20(24)19-13-9-8-12-18(19)15-14-17-10-6-5-7-11-17/h4-15,20,24H,1,16H2,2-3H3,(H,23,25)/b15-14+
InChIKeyGZDJZZVBDHTVHK-CCEZHUSRSA-N
MW335.45 g/mol
LogP4.22
Rot. Bonds7

About 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide

3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide (PubChem CID 44560413) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide
PubChem CID44560413
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C(O)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C22H25NO2/c1-4-16-23-21(25)22(2,3)20(24)19-13-9-8-12-18(19)15-14-17-10-6-5-7-11-17/h4-15,20,24H,1,16H2,2-3H3,(H,23,25)/b15-14+
InChIKeyGZDJZZVBDHTVHK-CCEZHUSRSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide (CID 44560413) is 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)C(O)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide?
The InChIKey is GZDJZZVBDHTVHK-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H25NO2/c1-4-16-23-21(25)22(2,3)20(24)19-13-9-8-12-18(19)15-14-17-10-6-5-7-11-17/h4-15,20,24H,1,16H2,2-3H3,(H,23,25)/b15-14+.
What are the key properties of 3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide?
3-hydroxy-2,2-dimethyl-3-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide has a molecular weight of 335.45 g/mol, XLogP of 4.22, 7 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-[2-[(E)-2-phenylethenyl]phenyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 44560413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).