N-(4-phenylhepta-1,6-dien-4-yl)benzamide

C20H21NO — CID 1225154

IUPACN-(4-phenylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(CC=C)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO/c1-3-15-20(16-4-2,18-13-9-6-10-14-18)21-19(22)17-11-7-5-8-12-17/h3-14H,1-2,15-16H2,(H,21,22)
InChIKeyLKJCXGDCVGYANR-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.46
Rot. Bonds7

About N-(4-phenylhepta-1,6-dien-4-yl)benzamide

N-(4-phenylhepta-1,6-dien-4-yl)benzamide (PubChem CID 1225154) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-phenylhepta-1,6-dien-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-phenylhepta-1,6-dien-4-yl)benzamide
PubChem CID1225154
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-(4-phenylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(CC=C)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO/c1-3-15-20(16-4-2,18-13-9-6-10-14-18)21-19(22)17-11-7-5-8-12-17/h3-14H,1-2,15-16H2,(H,21,22)
InChIKeyLKJCXGDCVGYANR-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The IUPAC name of N-(4-phenylhepta-1,6-dien-4-yl)benzamide (CID 1225154) is N-(4-phenylhepta-1,6-dien-4-yl)benzamide.
What is the SMILES notation for N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The canonical SMILES for N-(4-phenylhepta-1,6-dien-4-yl)benzamide is C=CCC(CC=C)(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The InChIKey is LKJCXGDCVGYANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-3-15-20(16-4-2,18-13-9-6-10-14-18)21-19(22)17-11-7-5-8-12-17/h3-14H,1-2,15-16H2,(H,21,22).
What are the key properties of N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
N-(4-phenylhepta-1,6-dien-4-yl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylhepta-1,6-dien-4-yl)benzamide is sourced from PubChem (CID 1225154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).