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

C18H19NO2 — CID 6040514

IUPAC(E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-14-17(13-16-9-5-2-6-10-16)19-18(21)12-11-15-7-3-1-4-8-15/h1-12,17,20H,13-14H2,(H,19,21)/b12-11+
InChIKeyVZKUSXFUBMPSML-VAWYXSNFSA-N
MW281.36 g/mol
LogP2.42
Rot. Bonds6

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

(E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide (PubChem CID 6040514) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide
PubChem CID6040514
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-14-17(13-16-9-5-2-6-10-16)19-18(21)12-11-15-7-3-1-4-8-15/h1-12,17,20H,13-14H2,(H,19,21)/b12-11+
InChIKeyVZKUSXFUBMPSML-VAWYXSNFSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.42
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-3-phenylpropan-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide (CID 6040514) is (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC(CO)Cc1ccccc1.
What is the InChIKey of (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide?
The InChIKey is VZKUSXFUBMPSML-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H19NO2/c20-14-17(13-16-9-5-2-6-10-16)19-18(21)12-11-15-7-3-1-4-8-15/h1-12,17,20H,13-14H2,(H,19,21)/b12-11+.
What are the key properties of (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide?
(E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6040514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).