N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide

C15H19NO — CID 101347654

IUPACN-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide
SMILESCC/C=C/C(=C\NC(=O)c1ccccc1)CC
InChIInChI=1S/C15H19NO/c1-3-5-9-13(4-2)12-16-15(17)14-10-7-6-8-11-14/h5-12H,3-4H2,1-2H3,(H,16,17)/b9-5+,13-12-
InChIKeyIBBYAFIPUGGOIA-XQJIRVGYSA-N
MW229.32 g/mol
LogP3.68
Rot. Bonds5

About N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide

N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide (PubChem CID 101347654) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide.

Molecular Properties

Compound NameN-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide
PubChem CID101347654
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide
SMILESCC/C=C/C(=C\NC(=O)c1ccccc1)CC
InChIInChI=1S/C15H19NO/c1-3-5-9-13(4-2)12-16-15(17)14-10-7-6-8-11-14/h5-12H,3-4H2,1-2H3,(H,16,17)/b9-5+,13-12-
InChIKeyIBBYAFIPUGGOIA-XQJIRVGYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
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N-pent-1-enyl-4-phenylbenzamide
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N-ethylbenzamide
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benzohydrazide;propane
CID 90709051
N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
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CID 102308068

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide?
The IUPAC name of N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide (CID 101347654) is N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide.
What is the SMILES notation for N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide?
The canonical SMILES for N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide is CC/C=C/C(=C\NC(=O)c1ccccc1)CC.
What is the InChIKey of N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide?
The InChIKey is IBBYAFIPUGGOIA-XQJIRVGYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-9-13(4-2)12-16-15(17)14-10-7-6-8-11-14/h5-12H,3-4H2,1-2H3,(H,16,17)/b9-5+,13-12-.
What are the key properties of N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide?
N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide has a molecular weight of 229.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide is sourced from PubChem (CID 101347654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).