(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide

C26H40N2O — CID 6434381

IUPAC(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide
SMILESCCCC/C=C/C=C/C=C/CCCCCCCC(=O)NNCCc1ccccc1
InChIInChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-27-24-23-25-20-17-16-18-21-25/h5-10,16-18,20-21,27H,2-4,11-15,19,22-24H2,1H3,(H,28,29)/b6-5+,8-7+,10-9+
InChIKeyCHAJPYJMHWMBSB-SUTYWZMXSA-N
MW396.62 g/mol
LogP6.44
Rot. Bonds17

About (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide

(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide (PubChem CID 6434381) has the molecular formula C26H40N2O and a molecular weight of 396.62 g/mol. Its IUPAC name is (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide.

Molecular Properties

Compound Name(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide
PubChem CID6434381
Molecular FormulaC26H40N2O
Molecular Weight396.62 g/mol
Exact Mass396.31
IUPAC Name(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide
SMILESCCCC/C=C/C=C/C=C/CCCCCCCC(=O)NNCCc1ccccc1
InChIInChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-27-24-23-25-20-17-16-18-21-25/h5-10,16-18,20-21,27H,2-4,11-15,19,22-24H2,1H3,(H,28,29)/b6-5+,8-7+,10-9+
InChIKeyCHAJPYJMHWMBSB-SUTYWZMXSA-N
XLogP6.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
N'-benzylhexadecanehydrazide
CID 154391297
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-(4-phenylbutyl)hexanamide
CID 4985988
(E)-N-benzylhexadec-4-enamide
CID 175178729
N-(2-phenylethyl)undec-10-enamide
CID 3930064
(E)-N-benzyl-9-oxooctadec-12-enamide
CID 174776077
3-[[(9E,11E)-octadeca-9,11-dienoyl]amino]propanoic acid
CID 163200172
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
N,N-dimethyl-10-phenyldeca-2,4-dienamide
CID 123909046
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide?
The IUPAC name of (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide (CID 6434381) is (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide.
What is the SMILES notation for (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide?
The canonical SMILES for (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide is CCCC/C=C/C=C/C=C/CCCCCCCC(=O)NNCCc1ccccc1.
What is the InChIKey of (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide?
The InChIKey is CHAJPYJMHWMBSB-SUTYWZMXSA-N. The full InChI is InChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-27-24-23-25-20-17-16-18-21-25/h5-10,16-18,20-21,27H,2-4,11-15,19,22-24H2,1H3,(H,28,29)/b6-5+,8-7+,10-9+.
What are the key properties of (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide?
(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide has a molecular weight of 396.62 g/mol, XLogP of 6.44, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide is sourced from PubChem (CID 6434381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).