3-[(E)-2-phenylethenyl]-N-propylbenzamide

C18H19NO — CID 67215100

IUPAC3-[(E)-2-phenylethenyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-2-13-19-18(20)17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,19,20)/b12-11+
InChIKeyVLJNMASLPRWYLC-VAWYXSNFSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds5

About 3-[(E)-2-phenylethenyl]-N-propylbenzamide

3-[(E)-2-phenylethenyl]-N-propylbenzamide (PubChem CID 67215100) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-N-propylbenzamide
PubChem CID67215100
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-[(E)-2-phenylethenyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-2-13-19-18(20)17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,19,20)/b12-11+
InChIKeyVLJNMASLPRWYLC-VAWYXSNFSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide
CID 53250516
3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide
CID 123614427
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-(ethylamino)-N-propylbenzamide
CID 43676038
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-N-propylbenzamide?
The IUPAC name of 3-[(E)-2-phenylethenyl]-N-propylbenzamide (CID 67215100) is 3-[(E)-2-phenylethenyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-N-propylbenzamide?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-N-propylbenzamide is CCCNC(=O)c1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-N-propylbenzamide?
The InChIKey is VLJNMASLPRWYLC-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-13-19-18(20)17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,19,20)/b12-11+.
What are the key properties of 3-[(E)-2-phenylethenyl]-N-propylbenzamide?
3-[(E)-2-phenylethenyl]-N-propylbenzamide has a molecular weight of 265.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-N-propylbenzamide is sourced from PubChem (CID 67215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).