(E)-hexadec-8-enediamide

C16H30N2O2 — CID 21140246

IUPAC(E)-hexadec-8-enediamide
SMILESNC(=O)CCCCCC/C=C/CCCCCCC(N)=O
InChIInChI=1S/C16H30N2O2/c17-15(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)20/h1-2H,3-14H2,(H2,17,19)(H2,18,20)/b2-1+
InChIKeyCXJZVJZMQQDDCJ-OWOJBTEDSA-N
MW282.43 g/mol
LogP3.19
Rot. Bonds14

About (E)-hexadec-8-enediamide

(E)-hexadec-8-enediamide (PubChem CID 21140246) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (E)-hexadec-8-enediamide.

Molecular Properties

Compound Name(E)-hexadec-8-enediamide
PubChem CID21140246
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(E)-hexadec-8-enediamide
SMILESNC(=O)CCCCCC/C=C/CCCCCCC(N)=O
InChIInChI=1S/C16H30N2O2/c17-15(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)20/h1-2H,3-14H2,(H2,17,19)(H2,18,20)/b2-1+
InChIKeyCXJZVJZMQQDDCJ-OWOJBTEDSA-N
XLogP3.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hentetraconta-10,31-dienediamide
CID 175604494
dopentaconta-13,39-dienediamide
CID 154089546
icosa-8,12-dienediamide
CID 154110661
heptatriaconta-9,12,25,28-tetraenediamide
CID 154187991
octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
octadec-9-enamide
CID 75990485
octadec-15-enamide
CID 54276805
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-tetratriacont-9-enamide
CID 86624387
(Z)-(113C)octadec-9-enamide
CID 175811454

Frequently Asked Questions

What is the IUPAC name of (E)-hexadec-8-enediamide?
The IUPAC name of (E)-hexadec-8-enediamide (CID 21140246) is (E)-hexadec-8-enediamide.
What is the SMILES notation for (E)-hexadec-8-enediamide?
The canonical SMILES for (E)-hexadec-8-enediamide is NC(=O)CCCCCC/C=C/CCCCCCC(N)=O.
What is the InChIKey of (E)-hexadec-8-enediamide?
The InChIKey is CXJZVJZMQQDDCJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H30N2O2/c17-15(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)20/h1-2H,3-14H2,(H2,17,19)(H2,18,20)/b2-1+.
What are the key properties of (E)-hexadec-8-enediamide?
(E)-hexadec-8-enediamide has a molecular weight of 282.43 g/mol, XLogP of 3.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hexadec-8-enediamide is sourced from PubChem (CID 21140246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).