(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide

C13H17NO2 — CID 6434080

IUPAC(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide
SMILESCC(C)(CO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3,(H,14,16)/b9-8+
InChIKeyHLNXBLMILSOABY-CMDGGOBGSA-N
MW219.28 g/mol
LogP1.59
Rot. Bonds4

About (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide

(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide (PubChem CID 6434080) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide
PubChem CID6434080
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide
SMILESCC(C)(CO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3,(H,14,16)/b9-8+
InChIKeyHLNXBLMILSOABY-CMDGGOBGSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide (CID 6434080) is (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide is CC(C)(CO)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide?
The InChIKey is HLNXBLMILSOABY-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3,(H,14,16)/b9-8+.
What are the key properties of (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide?
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6434080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).