3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide

C28H23NO2 — CID 173276331

IUPAC3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1cccc(C=Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C28H23NO2/c30-20-27(19-21-7-2-1-3-8-21)29-28(31)26-12-6-9-22(18-26)13-14-23-15-16-24-10-4-5-11-25(24)17-23/h1-18,20,27H,19H2,(H,29,31)
InChIKeyRASBDARIVIZDKE-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.55
Rot. Bonds7

About 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide

3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide (PubChem CID 173276331) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
PubChem CID173276331
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1cccc(C=Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C28H23NO2/c30-20-27(19-21-7-2-1-3-8-21)29-28(31)26-12-6-9-22(18-26)13-14-23-15-16-24-10-4-5-11-25(24)17-23/h1-18,20,27H,19H2,(H,29,31)
InChIKeyRASBDARIVIZDKE-UHFFFAOYSA-N
XLogP5.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
CID 59959708
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
CID 20666644
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190789
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
N-[(Z)-2-naphthalen-2-ylethenyl]benzamide
CID 177309001
2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 22988100
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
(E)-but-2-enedioic acid;N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide
CID 159165847
3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354070

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide (CID 173276331) is 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide is O=CC(Cc1ccccc1)NC(=O)c1cccc(C=Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The InChIKey is RASBDARIVIZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c30-20-27(19-21-7-2-1-3-8-21)29-28(31)26-12-6-9-22(18-26)13-14-23-15-16-24-10-4-5-11-25(24)17-23/h1-18,20,27H,19H2,(H,29,31).
What are the key properties of 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide has a molecular weight of 405.50 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 173276331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).