(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide

C17H17NO2 — CID 11196418

IUPAC(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(15-9-5-2-6-10-15)13-18-17(20)12-11-14-7-3-1-4-8-14/h1-12,16,19H,13H2,(H,18,20)/b12-11+/t16-/m1/s1
InChIKeyBQSILCBLDIDHON-LPQFERQCSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds5

About (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide

(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide (PubChem CID 11196418) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
PubChem CID11196418
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(15-9-5-2-6-10-15)13-18-17(20)12-11-14-7-3-1-4-8-14/h1-12,16,19H,13H2,(H,18,20)/b12-11+/t16-/m1/s1
InChIKeyBQSILCBLDIDHON-LPQFERQCSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
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-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide (CID 11196418) is (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC[C@@H](O)c1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide?
The InChIKey is BQSILCBLDIDHON-LPQFERQCSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(15-9-5-2-6-10-15)13-18-17(20)12-11-14-7-3-1-4-8-14/h1-12,16,19H,13H2,(H,18,20)/b12-11+/t16-/m1/s1.
What are the key properties of (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide?
(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 11196418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).