N',N'-diethyloctadec-9-enehydrazide

C22H44N2O — CID 54392469

IUPACN',N'-diethyloctadec-9-enehydrazide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NN(CC)CC
InChIInChI=1S/C22H44N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23-24(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3,(H,23,25)
InChIKeyVHPZZUDLPODBAG-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.40
Rot. Bonds18

About N',N'-diethyloctadec-9-enehydrazide

N',N'-diethyloctadec-9-enehydrazide (PubChem CID 54392469) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is N',N'-diethyloctadec-9-enehydrazide.

Molecular Properties

Compound NameN',N'-diethyloctadec-9-enehydrazide
PubChem CID54392469
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC NameN',N'-diethyloctadec-9-enehydrazide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NN(CC)CC
InChIInChI=1S/C22H44N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23-24(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3,(H,23,25)
InChIKeyVHPZZUDLPODBAG-UHFFFAOYSA-N
XLogP6.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.40
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyloctadec-9-enehydrazide?
The IUPAC name of N',N'-diethyloctadec-9-enehydrazide (CID 54392469) is N',N'-diethyloctadec-9-enehydrazide.
What is the SMILES notation for N',N'-diethyloctadec-9-enehydrazide?
The canonical SMILES for N',N'-diethyloctadec-9-enehydrazide is CCCCCCCCC=CCCCCCCCC(=O)NN(CC)CC.
What is the InChIKey of N',N'-diethyloctadec-9-enehydrazide?
The InChIKey is VHPZZUDLPODBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23-24(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3,(H,23,25).
What are the key properties of N',N'-diethyloctadec-9-enehydrazide?
N',N'-diethyloctadec-9-enehydrazide has a molecular weight of 352.61 g/mol, XLogP of 6.40, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyloctadec-9-enehydrazide is sourced from PubChem (CID 54392469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).