2-ethyloctadec-9-enamide

C20H39NO — CID 160810733

IUPAC2-ethyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(CC)C(N)=O
InChIInChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H2,21,22)
InChIKeyUGWBFUGQLDOKOG-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.15
Rot. Bonds16

About 2-ethyloctadec-9-enamide

2-ethyloctadec-9-enamide (PubChem CID 160810733) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-ethyloctadec-9-enamide.

Molecular Properties

Compound Name2-ethyloctadec-9-enamide
PubChem CID160810733
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2-ethyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(CC)C(N)=O
InChIInChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H2,21,22)
InChIKeyUGWBFUGQLDOKOG-UHFFFAOYSA-N
XLogP6.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-ethyldocos-13-enamide
CID 173006662
2-hexadecylicos-11-enamide
CID 173011844
azane;2-ethyldodecanamide
CID 174462460
2-triacont-19-enylbutanediamide
CID 155758594
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-propylhexacosa-16,18,20-trienamide
CID 173137662
sulfanyl (Z)-2-ethyloctadec-9-enoate
CID 175507443
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-propylpentadec-12-enamide
CID 140789698

Frequently Asked Questions

What is the IUPAC name of 2-ethyloctadec-9-enamide?
The IUPAC name of 2-ethyloctadec-9-enamide (CID 160810733) is 2-ethyloctadec-9-enamide.
What is the SMILES notation for 2-ethyloctadec-9-enamide?
The canonical SMILES for 2-ethyloctadec-9-enamide is CCCCCCCCC=CCCCCCCC(CC)C(N)=O.
What is the InChIKey of 2-ethyloctadec-9-enamide?
The InChIKey is UGWBFUGQLDOKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H2,21,22).
What are the key properties of 2-ethyloctadec-9-enamide?
2-ethyloctadec-9-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.15, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloctadec-9-enamide is sourced from PubChem (CID 160810733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).