3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide

C15H21NO2 — CID 24894022

IUPAC3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)C(O)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-4-10-16-14(18)15(2,3)13(17)11-12-8-6-5-7-9-12/h4-9,13,17H,1,10-11H2,2-3H3,(H,16,18)
InChIKeyIMECDISASFJTLI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds6

About 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide

3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide (PubChem CID 24894022) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide
PubChem CID24894022
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)C(O)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-4-10-16-14(18)15(2,3)13(17)11-12-8-6-5-7-9-12/h4-9,13,17H,1,10-11H2,2-3H3,(H,16,18)
InChIKeyIMECDISASFJTLI-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide (CID 24894022) is 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)(C)C(O)Cc1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide?
The InChIKey is IMECDISASFJTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-10-16-14(18)15(2,3)13(17)11-12-8-6-5-7-9-12/h4-9,13,17H,1,10-11H2,2-3H3,(H,16,18).
What are the key properties of 3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide?
3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 1.92, 6 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-4-phenyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 24894022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).