N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide

C23H20N2O2 — CID 21190789

IUPACN-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1ccncc1
InChIInChI=1S/C23H20N2O2/c26-17-21(16-19-6-2-1-3-7-19)25-23(27)22-9-5-4-8-20(22)11-10-18-12-14-24-15-13-18/h1-15,17,21H,16H2,(H,25,27)/b11-10+
InChIKeyFVJLXNZWRFJTIT-ZHACJKMWSA-N
MW356.43 g/mol
LogP3.79
Rot. Bonds7

About N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide

N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide (PubChem CID 21190789) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
PubChem CID21190789
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1ccncc1
InChIInChI=1S/C23H20N2O2/c26-17-21(16-19-6-2-1-3-7-19)25-23(27)22-9-5-4-8-20(22)11-10-18-12-14-24-15-13-18/h1-15,17,21H,16H2,(H,25,27)/b11-10+
InChIKeyFVJLXNZWRFJTIT-ZHACJKMWSA-N
XLogP3.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500
N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190834
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
CID 59959708
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522393
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]ethenyl]benzamide
CID 23513618
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
CID 20666644
sodium;hydride;2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522392
2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 22988100

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
The IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide (CID 21190789) is N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide.
What is the SMILES notation for N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
The canonical SMILES for N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide is O=CC(Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1ccncc1.
What is the InChIKey of N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
The InChIKey is FVJLXNZWRFJTIT-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-17-21(16-19-6-2-1-3-7-19)25-23(27)22-9-5-4-8-20(22)11-10-18-12-14-24-15-13-18/h1-15,17,21H,16H2,(H,25,27)/b11-10+.
What are the key properties of N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide is sourced from PubChem (CID 21190789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).