ethene;2-hexadecyloctadecanamide

C36H73NO — CID 87836706

IUPACethene;2-hexadecyloctadecanamide
SMILESC=C.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C34H69NO.C2H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2/h33H,3-32H2,1-2H3,(H2,35,36);1-2H2
InChIKeyONCJILKCYLNJLV-UHFFFAOYSA-N
MW535.99 g/mol
LogP12.63
Rot. Bonds31

About ethene;2-hexadecyloctadecanamide

ethene;2-hexadecyloctadecanamide (PubChem CID 87836706) has the molecular formula C36H73NO and a molecular weight of 535.99 g/mol. Its IUPAC name is ethene;2-hexadecyloctadecanamide.

Molecular Properties

Compound Nameethene;2-hexadecyloctadecanamide
PubChem CID87836706
Molecular FormulaC36H73NO
Molecular Weight535.99 g/mol
Exact Mass535.57
IUPAC Nameethene;2-hexadecyloctadecanamide
SMILESC=C.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C34H69NO.C2H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2/h33H,3-32H2,1-2H3,(H2,35,36);1-2H2
InChIKeyONCJILKCYLNJLV-UHFFFAOYSA-N
XLogP12.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.99
LogP ≤ 512.63
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-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
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2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2,9-dibutyldecanediamide
CID 141080467
acetic acid;2-butylhexadecanamide
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2-undecylhexanediamide
CID 174629940
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide
CID 98093288
azane;2-ethyldodecanamide
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CID 118615002

Frequently Asked Questions

What is the IUPAC name of ethene;2-hexadecyloctadecanamide?
The IUPAC name of ethene;2-hexadecyloctadecanamide (CID 87836706) is ethene;2-hexadecyloctadecanamide.
What is the SMILES notation for ethene;2-hexadecyloctadecanamide?
The canonical SMILES for ethene;2-hexadecyloctadecanamide is C=C.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of ethene;2-hexadecyloctadecanamide?
The InChIKey is ONCJILKCYLNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO.C2H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2/h33H,3-32H2,1-2H3,(H2,35,36);1-2H2.
What are the key properties of ethene;2-hexadecyloctadecanamide?
ethene;2-hexadecyloctadecanamide has a molecular weight of 535.99 g/mol, XLogP of 12.63, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hexadecyloctadecanamide is sourced from PubChem (CID 87836706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).