N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide

C24H27NO2 — CID 14789884

IUPACN-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide
SMILESC=C/C=C/CCN(C/C=C\COCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-2-3-4-11-18-25(24(26)23-16-9-6-10-17-23)19-12-13-20-27-21-22-14-7-5-8-15-22/h2-10,12-17H,1,11,18-21H2/b4-3+,13-12-
InChIKeyKHVNZBNWTNTNGV-JPLZDGERSA-N
MW361.49 g/mol
LogP5.03
Rot. Bonds11

About N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide

N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide (PubChem CID 14789884) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide.

Molecular Properties

Compound NameN-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide
PubChem CID14789884
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide
SMILESC=C/C=C/CCN(C/C=C\COCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-2-3-4-11-18-25(24(26)23-16-9-6-10-17-23)19-12-13-20-27-21-22-14-7-5-8-15-22/h2-10,12-17H,1,11,18-21H2/b4-3+,13-12-
InChIKeyKHVNZBNWTNTNGV-JPLZDGERSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide?
The IUPAC name of N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide (CID 14789884) is N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide.
What is the SMILES notation for N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide?
The canonical SMILES for N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide is C=C/C=C/CCN(C/C=C\COCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide?
The InChIKey is KHVNZBNWTNTNGV-JPLZDGERSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-3-4-11-18-25(24(26)23-16-9-6-10-17-23)19-12-13-20-27-21-22-14-7-5-8-15-22/h2-10,12-17H,1,11,18-21H2/b4-3+,13-12-.
What are the key properties of N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide?
N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-3,5-dienyl]-N-[(Z)-4-phenylmethoxybut-2-enyl]benzamide is sourced from PubChem (CID 14789884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).