2-ethyloctadecanamide;hexadecanamide

C36H74N2O2 — CID 174921591

IUPAC2-ethyloctadecanamide;hexadecanamide
SMILESCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCC(CC)C(N)=O
InChIInChI=1S/C20H41NO.C16H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h19H,3-18H2,1-2H3,(H2,21,22);2-15H2,1H3,(H2,17,18)
InChIKeyZKHHJSDDFCXRNI-UHFFFAOYSA-N
MW567.00 g/mol
LogP11.32
Rot. Bonds31

About 2-ethyloctadecanamide;hexadecanamide

2-ethyloctadecanamide;hexadecanamide (PubChem CID 174921591) has the molecular formula C36H74N2O2 and a molecular weight of 567.00 g/mol. Its IUPAC name is 2-ethyloctadecanamide;hexadecanamide.

Molecular Properties

Compound Name2-ethyloctadecanamide;hexadecanamide
PubChem CID174921591
Molecular FormulaC36H74N2O2
Molecular Weight567.00 g/mol
Exact Mass566.58
IUPAC Name2-ethyloctadecanamide;hexadecanamide
SMILESCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCC(CC)C(N)=O
InChIInChI=1S/C20H41NO.C16H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h19H,3-18H2,1-2H3,(H2,21,22);2-15H2,1H3,(H2,17,18)
InChIKeyZKHHJSDDFCXRNI-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-ethylhexadecanamide;octadecanamide
CID 159948815
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-ethyloctadecanamide;hexadecanamide?
The IUPAC name of 2-ethyloctadecanamide;hexadecanamide (CID 174921591) is 2-ethyloctadecanamide;hexadecanamide.
What is the SMILES notation for 2-ethyloctadecanamide;hexadecanamide?
The canonical SMILES for 2-ethyloctadecanamide;hexadecanamide is CCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCC(CC)C(N)=O.
What is the InChIKey of 2-ethyloctadecanamide;hexadecanamide?
The InChIKey is ZKHHJSDDFCXRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.C16H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h19H,3-18H2,1-2H3,(H2,21,22);2-15H2,1H3,(H2,17,18).
What are the key properties of 2-ethyloctadecanamide;hexadecanamide?
2-ethyloctadecanamide;hexadecanamide 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-ethyloctadecanamide;hexadecanamide is sourced from PubChem (CID 174921591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).