(E)-N',N'-dimethyloctadec-9-enehydrazide

C20H40N2O — CID 5356846

IUPAC(E)-N',N'-dimethyloctadec-9-enehydrazide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NN(C)C
InChIInChI=1S/C20H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)21-22(2)3/h11-12H,4-10,13-19H2,1-3H3,(H,21,23)/b12-11+
InChIKeyZNRXTKOCVAHQTJ-VAWYXSNFSA-N
MW324.55 g/mol
LogP5.62
Rot. Bonds16

About (E)-N',N'-dimethyloctadec-9-enehydrazide

(E)-N',N'-dimethyloctadec-9-enehydrazide (PubChem CID 5356846) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is (E)-N',N'-dimethyloctadec-9-enehydrazide.

Molecular Properties

Compound Name(E)-N',N'-dimethyloctadec-9-enehydrazide
PubChem CID5356846
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name(E)-N',N'-dimethyloctadec-9-enehydrazide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NN(C)C
InChIInChI=1S/C20H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)21-22(2)3/h11-12H,4-10,13-19H2,1-3H3,(H,21,23)/b12-11+
InChIKeyZNRXTKOCVAHQTJ-VAWYXSNFSA-N
XLogP5.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.62
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 (E)-N',N'-dimethyloctadec-9-enehydrazide?
The IUPAC name of (E)-N',N'-dimethyloctadec-9-enehydrazide (CID 5356846) is (E)-N',N'-dimethyloctadec-9-enehydrazide.
What is the SMILES notation for (E)-N',N'-dimethyloctadec-9-enehydrazide?
The canonical SMILES for (E)-N',N'-dimethyloctadec-9-enehydrazide is CCCCCCCC/C=C/CCCCCCCC(=O)NN(C)C.
What is the InChIKey of (E)-N',N'-dimethyloctadec-9-enehydrazide?
The InChIKey is ZNRXTKOCVAHQTJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)21-22(2)3/h11-12H,4-10,13-19H2,1-3H3,(H,21,23)/b12-11+.
What are the key properties of (E)-N',N'-dimethyloctadec-9-enehydrazide?
(E)-N',N'-dimethyloctadec-9-enehydrazide has a molecular weight of 324.55 g/mol, XLogP of 5.62, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N',N'-dimethyloctadec-9-enehydrazide is sourced from PubChem (CID 5356846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).