2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide

C26H25NO4 — CID 20666642

IUPAC2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(/C=C/c2ccccc2C(=O)N[C@H](C=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-30-24-15-13-20(17-25(24)31-2)12-14-21-10-6-7-11-23(21)26(29)27-22(18-28)16-19-8-4-3-5-9-19/h3-15,17-18,22H,16H2,1-2H3,(H,27,29)/b14-12+/t22-/m0/s1
InChIKeyBUWSNTLOUSDRAJ-VKXNWWILSA-N
MW415.49 g/mol
LogP4.41
Rot. Bonds9

About 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 20666642) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID20666642
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(/C=C/c2ccccc2C(=O)N[C@H](C=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-30-24-15-13-20(17-25(24)31-2)12-14-21-10-6-7-11-23(21)26(29)27-22(18-28)16-19-8-4-3-5-9-19/h3-15,17-18,22H,16H2,1-2H3,(H,27,29)/b14-12+/t22-/m0/s1
InChIKeyBUWSNTLOUSDRAJ-VKXNWWILSA-N
XLogP4.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 153385786
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
CID 20666644
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
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-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190834
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
CID 171987201

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 20666642) is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide is COc1ccc(/C=C/c2ccccc2C(=O)N[C@H](C=O)Cc2ccccc2)cc1OC.
What is the InChIKey of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is BUWSNTLOUSDRAJ-VKXNWWILSA-N. The full InChI is InChI=1S/C26H25NO4/c1-30-24-15-13-20(17-25(24)31-2)12-14-21-10-6-7-11-23(21)26(29)27-22(18-28)16-19-8-4-3-5-9-19/h3-15,17-18,22H,16H2,1-2H3,(H,27,29)/b14-12+/t22-/m0/s1.
What are the key properties of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 20666642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).