2,2-dimethylhexadecanamide

C18H37NO — CID 23297438

IUPAC2,2-dimethylhexadecanamide
SMILESCCCCCCCCCCCCCCC(C)(C)C(N)=O
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,3)17(19)20/h4-16H2,1-3H3,(H2,19,20)
InChIKeyPFFIQRZJOFRQEZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.59
Rot. Bonds14

About 2,2-dimethylhexadecanamide

2,2-dimethylhexadecanamide (PubChem CID 23297438) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2,2-dimethylhexadecanamide.

Molecular Properties

Compound Name2,2-dimethylhexadecanamide
PubChem CID23297438
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2,2-dimethylhexadecanamide
SMILESCCCCCCCCCCCCCCC(C)(C)C(N)=O
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,3)17(19)20/h4-16H2,1-3H3,(H2,19,20)
InChIKeyPFFIQRZJOFRQEZ-UHFFFAOYSA-N
XLogP5.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyldecanamide
CID 22596903
2,2-dimethylicos-11-enamide
CID 57244584
2-amino-2-methyltetradecanamide
CID 175155192
2,2-dimethyldocosanoic acid
CID 23471202
2-icosyl-2-pentyldocosanamide
CID 175538156
2,2-dimethyldodecanoyl chloride
CID 15656432
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethyloctanethioate
CID 18983936
2-(aminomethyl)-2-methylnonanamide
CID 167073051
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexadecanamide?
The IUPAC name of 2,2-dimethylhexadecanamide (CID 23297438) is 2,2-dimethylhexadecanamide.
What is the SMILES notation for 2,2-dimethylhexadecanamide?
The canonical SMILES for 2,2-dimethylhexadecanamide is CCCCCCCCCCCCCCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethylhexadecanamide?
The InChIKey is PFFIQRZJOFRQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,3)17(19)20/h4-16H2,1-3H3,(H2,19,20).
What are the key properties of 2,2-dimethylhexadecanamide?
2,2-dimethylhexadecanamide has a molecular weight of 283.50 g/mol, XLogP of 5.59, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexadecanamide is sourced from PubChem (CID 23297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).