(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide

C13H17NO2 — CID 44560414

IUPAC(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide
SMILESCC(C)(C(/C=C/C1=CC=CC=C1)O)C(=O)N
InChIInChI=1S/C13H17NO2/c1-13(2,12(14)16)11(15)9-8-10-6-4-3-5-7-10/h3-9,11,15H,1-2H3,(H2,14,16)/b9-8+
InChIKeyAQHIWQKOZFDDRH-CMDGGOBGSA-N
MW219.28 g/mol
LogP1.50
Rot. Bonds4

About (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide

(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide (PubChem CID 44560414) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide
PubChem CID44560414
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide
SMILESCC(C)(C(/C=C/C1=CC=CC=C1)O)C(=O)N
InChIInChI=1S/C13H17NO2/c1-13(2,12(14)16)11(15)9-8-10-6-4-3-5-7-10/h3-9,11,15H,1-2H3,(H2,14,16)/b9-8+
InChIKeyAQHIWQKOZFDDRH-CMDGGOBGSA-N
XLogP1.50
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity265

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide?
The IUPAC name of (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide (CID 44560414) is (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide?
The canonical SMILES for (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide is CC(C)(C(/C=C/C1=CC=CC=C1)O)C(=O)N.
What is the InChIKey of (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide?
The InChIKey is AQHIWQKOZFDDRH-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,12(14)16)11(15)9-8-10-6-4-3-5-7-10/h3-9,11,15H,1-2H3,(H2,14,16)/b9-8+.
What are the key properties of (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide?
(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide is sourced from PubChem (CID 44560414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).