N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide

C28H25NO2 — CID 20666644

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccccc1/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C28H25NO2/c30-20-26(19-21-8-2-1-3-9-21)29-28(31)27-13-7-6-11-24(27)17-15-22-14-16-23-10-4-5-12-25(23)18-22/h1-18,26,30H,19-20H2,(H,29,31)/b17-15+/t26-/m0/s1
InChIKeyVFWVPOAPHMNGQQ-DSDNZOFKSA-N
MW407.51 g/mol
LogP5.34
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide (PubChem CID 20666644) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
PubChem CID20666644
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccccc1/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C28H25NO2/c30-20-26(19-21-8-2-1-3-9-21)29-28(31)27-13-7-6-11-24(27)17-15-22-14-16-23-10-4-5-12-25(23)18-22/h1-18,26,30H,19-20H2,(H,29,31)/b17-15+/t26-/m0/s1
InChIKeyVFWVPOAPHMNGQQ-DSDNZOFKSA-N
XLogP5.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide (CID 20666644) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1/C=C/c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide?
The InChIKey is VFWVPOAPHMNGQQ-DSDNZOFKSA-N. The full InChI is InChI=1S/C28H25NO2/c30-20-26(19-21-8-2-1-3-9-21)29-28(31)27-13-7-6-11-24(27)17-15-22-14-16-23-10-4-5-12-25(23)18-22/h1-18,26,30H,19-20H2,(H,29,31)/b17-15+/t26-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide is sourced from PubChem (CID 20666644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).