(2R,4E,6E)-2-benzylocta-4,6-dienamide

C15H19NO — CID 125467073

IUPAC(2R,4E,6E)-2-benzylocta-4,6-dienamide
SMILESC/C=C/C=C/C[C@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C15H19NO/c1-2-3-4-8-11-14(15(16)17)12-13-9-6-5-7-10-13/h2-10,14H,11-12H2,1H3,(H2,16,17)/b3-2+,8-4+/t14-/m1/s1
InChIKeyBJBNDFDMLKRGQU-RZPDJMOWSA-N
MW229.32 g/mol
LogP2.85
Rot. Bonds6

About (2R,4E,6E)-2-benzylocta-4,6-dienamide

(2R,4E,6E)-2-benzylocta-4,6-dienamide (PubChem CID 125467073) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R,4E,6E)-2-benzylocta-4,6-dienamide.

Molecular Properties

Compound Name(2R,4E,6E)-2-benzylocta-4,6-dienamide
PubChem CID125467073
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2R,4E,6E)-2-benzylocta-4,6-dienamide
SMILESC/C=C/C=C/C[C@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C15H19NO/c1-2-3-4-8-11-14(15(16)17)12-13-9-6-5-7-10-13/h2-10,14H,11-12H2,1H3,(H2,16,17)/b3-2+,8-4+/t14-/m1/s1
InChIKeyBJBNDFDMLKRGQU-RZPDJMOWSA-N
XLogP2.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.85
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

methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979
2-benzyl-3-[formyl(hydroxy)amino]propanamide
CID 87592529
methyl (E)-2-benzyl-6-methylhept-4-enoate
CID 10467112
2-benzylheptanediamide
CID 154384370
methyl 2-benzyl-4-oxobutanoate
CID 10608348
[(2E,4E)-hexa-2,4-dienyl] 3-phenylpropanoate
CID 87203064
1-amino-1-phenylocta-4,6-dien-2-ol
CID 123456345
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
(3R)-2,3-dimethyl-4-phenylbutanamide
CID 140571501
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147
2-benzyl-4-methylpentanoic acid
CID 15416243

Frequently Asked Questions

What is the IUPAC name of (2R,4E,6E)-2-benzylocta-4,6-dienamide?
The IUPAC name of (2R,4E,6E)-2-benzylocta-4,6-dienamide (CID 125467073) is (2R,4E,6E)-2-benzylocta-4,6-dienamide.
What is the SMILES notation for (2R,4E,6E)-2-benzylocta-4,6-dienamide?
The canonical SMILES for (2R,4E,6E)-2-benzylocta-4,6-dienamide is C/C=C/C=C/C[C@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2R,4E,6E)-2-benzylocta-4,6-dienamide?
The InChIKey is BJBNDFDMLKRGQU-RZPDJMOWSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-8-11-14(15(16)17)12-13-9-6-5-7-10-13/h2-10,14H,11-12H2,1H3,(H2,16,17)/b3-2+,8-4+/t14-/m1/s1.
What are the key properties of (2R,4E,6E)-2-benzylocta-4,6-dienamide?
(2R,4E,6E)-2-benzylocta-4,6-dienamide has a molecular weight of 229.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6E)-2-benzylocta-4,6-dienamide is sourced from PubChem (CID 125467073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).