2-ethylhexadecanamide;octadecanamide

C36H74N2O2 — CID 159948815

IUPAC2-ethylhexadecanamide;octadecanamide
SMILESCCCCCCCCCCCCCCC(CC)C(N)=O.CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/2C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20);2-17H2,1H3,(H2,19,20)
InChIKeyOBVKXTFXXAZAEE-UHFFFAOYSA-N
MW567.00 g/mol
LogP11.32
Rot. Bonds31

About 2-ethylhexadecanamide;octadecanamide

2-ethylhexadecanamide;octadecanamide (PubChem CID 159948815) has the molecular formula C36H74N2O2 and a molecular weight of 567.00 g/mol. Its IUPAC name is 2-ethylhexadecanamide;octadecanamide.

Molecular Properties

Compound Name2-ethylhexadecanamide;octadecanamide
PubChem CID159948815
Molecular FormulaC36H74N2O2
Molecular Weight567.00 g/mol
Exact Mass566.58
IUPAC Name2-ethylhexadecanamide;octadecanamide
SMILESCCCCCCCCCCCCCCC(CC)C(N)=O.CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/2C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20);2-17H2,1H3,(H2,19,20)
InChIKeyOBVKXTFXXAZAEE-UHFFFAOYSA-N
XLogP11.32
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.00
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyloctadecanamide;hexadecanamide
CID 174921591
azane;2-ethyldodecanamide
CID 174462460
2-undecylhexanediamide
CID 174629940
2-propylhexadecanediamide
CID 142717306
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
ethylboronic acid;2-ethylnonanamide
CID 175360947
2-ethyloctadec-9-enamide
CID 160810733
2-ethyldocos-13-enamide
CID 173006662
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexadecanamide;octadecanamide?
The IUPAC name of 2-ethylhexadecanamide;octadecanamide (CID 159948815) is 2-ethylhexadecanamide;octadecanamide.
What is the SMILES notation for 2-ethylhexadecanamide;octadecanamide?
The canonical SMILES for 2-ethylhexadecanamide;octadecanamide is CCCCCCCCCCCCCCC(CC)C(N)=O.CCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of 2-ethylhexadecanamide;octadecanamide?
The InChIKey is OBVKXTFXXAZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20);2-17H2,1H3,(H2,19,20).
What are the key properties of 2-ethylhexadecanamide;octadecanamide?
2-ethylhexadecanamide;octadecanamide has a molecular weight of 567.00 g/mol, XLogP of 11.32, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexadecanamide;octadecanamide is sourced from PubChem (CID 159948815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).