2-butyldodecanamide

C16H33NO — CID 88685822

IUPAC2-butyldodecanamide
SMILESCCCCCCCCCCC(CCCC)C(N)=O
InChIInChI=1S/C16H33NO/c1-3-5-7-8-9-10-11-12-14-15(16(17)18)13-6-4-2/h15H,3-14H2,1-2H3,(H2,17,18)
InChIKeyIBZCCHFNKGSLIG-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.81
Rot. Bonds13

About 2-butyldodecanamide

2-butyldodecanamide (PubChem CID 88685822) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-butyldodecanamide.

Molecular Properties

Compound Name2-butyldodecanamide
PubChem CID88685822
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-butyldodecanamide
SMILESCCCCCCCCCCC(CCCC)C(N)=O
InChIInChI=1S/C16H33NO/c1-3-5-7-8-9-10-11-12-14-15(16(17)18)13-6-4-2/h15H,3-14H2,1-2H3,(H2,17,18)
InChIKeyIBZCCHFNKGSLIG-UHFFFAOYSA-N
XLogP4.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.81
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-butyltetradecanamide
CID 57191211
2,9-dibutyldecanediamide
CID 141080467
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
acetic acid;2-butylhexadecanamide
CID 174441858
ethene;2-hexadecyloctadecanamide
CID 87836706
2-undecylhexanediamide
CID 174629940
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
2-propylhexanamide
CID 19818979
azane;2-ethyldodecanamide
CID 174462460
2-hexadecylicos-11-enamide
CID 173011844

Frequently Asked Questions

What is the IUPAC name of 2-butyldodecanamide?
The IUPAC name of 2-butyldodecanamide (CID 88685822) is 2-butyldodecanamide.
What is the SMILES notation for 2-butyldodecanamide?
The canonical SMILES for 2-butyldodecanamide is CCCCCCCCCCC(CCCC)C(N)=O.
What is the InChIKey of 2-butyldodecanamide?
The InChIKey is IBZCCHFNKGSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-7-8-9-10-11-12-14-15(16(17)18)13-6-4-2/h15H,3-14H2,1-2H3,(H2,17,18).
What are the key properties of 2-butyldodecanamide?
2-butyldodecanamide has a molecular weight of 255.45 g/mol, XLogP of 4.81, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyldodecanamide is sourced from PubChem (CID 88685822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).