4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide

C17H17NO2 — CID 134969126

IUPAC4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide
SMILESNC(=O)c1ccc(/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c18-17(19)16-10-8-14(9-11-16)7-4-12-20-13-15-5-2-1-3-6-15/h1-11H,12-13H2,(H2,18,19)/b7-4+
InChIKeyWAVTYGBQHGBKHU-QPJJXVBHSA-N
MW267.33 g/mol
LogP3.02
Rot. Bonds6

About 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide

4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide (PubChem CID 134969126) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide.

Molecular Properties

Compound Name4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide
PubChem CID134969126
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide
SMILESNC(=O)c1ccc(/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c18-17(19)16-10-8-14(9-11-16)7-4-12-20-13-15-5-2-1-3-6-15/h1-11H,12-13H2,(H2,18,19)/b7-4+
InChIKeyWAVTYGBQHGBKHU-QPJJXVBHSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide?
The IUPAC name of 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide (CID 134969126) is 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide.
What is the SMILES notation for 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide?
The canonical SMILES for 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide is NC(=O)c1ccc(/C=C/COCc2ccccc2)cc1.
What is the InChIKey of 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide?
The InChIKey is WAVTYGBQHGBKHU-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H17NO2/c18-17(19)16-10-8-14(9-11-16)7-4-12-20-13-15-5-2-1-3-6-15/h1-11H,12-13H2,(H2,18,19)/b7-4+.
What are the key properties of 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide?
4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide has a molecular weight of 267.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylmethoxyprop-1-enyl]benzamide is sourced from PubChem (CID 134969126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).