4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide

C25H23NO2 — CID 59959708

IUPAC4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C=O)Cc2ccccc2)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C25H23NO2/c1-19-12-15-24(22(16-19)14-13-20-8-4-2-5-9-20)25(28)26-23(18-27)17-21-10-6-3-7-11-21/h2-16,18,23H,17H2,1H3,(H,26,28)/b14-13+/t23-/m0/s1
InChIKeyDRVXQTCLOIOCOY-ZVQQDINOSA-N
MW369.46 g/mol
LogP4.71
Rot. Bonds7

About 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide

4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide (PubChem CID 59959708) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
PubChem CID59959708
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C=O)Cc2ccccc2)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C25H23NO2/c1-19-12-15-24(22(16-19)14-13-20-8-4-2-5-9-20)25(28)26-23(18-27)17-21-10-6-3-7-11-21/h2-16,18,23H,17H2,1H3,(H,26,28)/b14-13+/t23-/m0/s1
InChIKeyDRVXQTCLOIOCOY-ZVQQDINOSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.71
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

N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190789
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 153385786
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190834
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522393
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
2-benzyl-3-(2-hydroxy-5-methylphenyl)-3-oxopropanal
CID 57282430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide?
The IUPAC name of 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide (CID 59959708) is 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide?
The canonical SMILES for 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide is Cc1ccc(C(=O)N[C@H](C=O)Cc2ccccc2)c(/C=C/c2ccccc2)c1.
What is the InChIKey of 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide?
The InChIKey is DRVXQTCLOIOCOY-ZVQQDINOSA-N. The full InChI is InChI=1S/C25H23NO2/c1-19-12-15-24(22(16-19)14-13-20-8-4-2-5-9-20)25(28)26-23(18-27)17-21-10-6-3-7-11-21/h2-16,18,23H,17H2,1H3,(H,26,28)/b14-13+/t23-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide?
4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide is sourced from PubChem (CID 59959708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).