4-methoxy-3-[(E)-2-phenylethenyl]benzamide

C16H15NO2 — CID 57393051

IUPAC4-methoxy-3-[(E)-2-phenylethenyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15-10-9-14(16(17)18)11-13(15)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18)/b8-7+
InChIKeyNCQRGUBSHATDBY-BQYQJAHWSA-N
MW253.30 g/mol
LogP2.96
Rot. Bonds4

About 4-methoxy-3-[(E)-2-phenylethenyl]benzamide

4-methoxy-3-[(E)-2-phenylethenyl]benzamide (PubChem CID 57393051) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-2-phenylethenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(E)-2-phenylethenyl]benzamide
PubChem CID57393051
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-methoxy-3-[(E)-2-phenylethenyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15-10-9-14(16(17)18)11-13(15)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18)/b8-7+
InChIKeyNCQRGUBSHATDBY-BQYQJAHWSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(E)-2-phenylethenyl]benzamide?
The IUPAC name of 4-methoxy-3-[(E)-2-phenylethenyl]benzamide (CID 57393051) is 4-methoxy-3-[(E)-2-phenylethenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-[(E)-2-phenylethenyl]benzamide?
The canonical SMILES for 4-methoxy-3-[(E)-2-phenylethenyl]benzamide is COc1ccc(C(N)=O)cc1/C=C/c1ccccc1.
What is the InChIKey of 4-methoxy-3-[(E)-2-phenylethenyl]benzamide?
The InChIKey is NCQRGUBSHATDBY-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-10-9-14(16(17)18)11-13(15)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18)/b8-7+.
What are the key properties of 4-methoxy-3-[(E)-2-phenylethenyl]benzamide?
4-methoxy-3-[(E)-2-phenylethenyl]benzamide has a molecular weight of 253.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-2-phenylethenyl]benzamide is sourced from PubChem (CID 57393051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).