(E)-N'-methylideneoctadec-9-enediamide

C19H34N2O2 — CID 163746720

IUPAC(E)-N'-methylideneoctadec-9-enediamide
SMILESC=NC(=O)CCCCCCC/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C19H34N2O2/c1-21-19(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)22/h2-3H,1,4-17H2,(H2,20,22)/b3-2+
InChIKeyLMMNYAMRSOOTKI-NSCUHMNNSA-N
MW322.49 g/mol
LogP4.72
Rot. Bonds16

About (E)-N'-methylideneoctadec-9-enediamide

(E)-N'-methylideneoctadec-9-enediamide (PubChem CID 163746720) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is (E)-N'-methylideneoctadec-9-enediamide.

Molecular Properties

Compound Name(E)-N'-methylideneoctadec-9-enediamide
PubChem CID163746720
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name(E)-N'-methylideneoctadec-9-enediamide
SMILESC=NC(=O)CCCCCCC/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C19H34N2O2/c1-21-19(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)22/h2-3H,1,4-17H2,(H2,20,22)/b3-2+
InChIKeyLMMNYAMRSOOTKI-NSCUHMNNSA-N
XLogP4.72
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Oleamide
CID 5283387
Erucamide
CID 5365371
Linoleamide
CID 6435901
Elaidamide
CID 5353370
9,12-Octadecadienamide
CID 3930
11-Eicosenamide, (11Z)-
CID 5365374
9-Octadecenamide
CID 1930
(9E,12E)-octadeca-9,12-dienamide
CID 5353723
(E)-13-Docosenamide
CID 5365369
Nervonamide
CID 11963502
(11Z,14Z)-eicosadienamide
CID 16759324
trans-11-Icosenamide
CID 5365373

Frequently Asked Questions

What is the IUPAC name of (E)-N'-methylideneoctadec-9-enediamide?
The IUPAC name of (E)-N'-methylideneoctadec-9-enediamide (CID 163746720) is (E)-N'-methylideneoctadec-9-enediamide.
What is the SMILES notation for (E)-N'-methylideneoctadec-9-enediamide?
The canonical SMILES for (E)-N'-methylideneoctadec-9-enediamide is C=NC(=O)CCCCCCC/C=C/CCCCCCCC(N)=O.
What is the InChIKey of (E)-N'-methylideneoctadec-9-enediamide?
The InChIKey is LMMNYAMRSOOTKI-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-21-19(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)22/h2-3H,1,4-17H2,(H2,20,22)/b3-2+.
What are the key properties of (E)-N'-methylideneoctadec-9-enediamide?
(E)-N'-methylideneoctadec-9-enediamide has a molecular weight of 322.49 g/mol, XLogP of 4.72, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-methylideneoctadec-9-enediamide is sourced from PubChem (CID 163746720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).