2-dodecylnonadecanamide

C31H63NO — CID 175503182

IUPAC2-dodecylnonadecanamide
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C31H63NO/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-30(31(32)33)28-26-24-22-20-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H2,32,33)
InChIKeyLPAGSCYFLVNJJR-UHFFFAOYSA-N
MW465.85 g/mol
LogP10.66
Rot. Bonds28

About 2-dodecylnonadecanamide

2-dodecylnonadecanamide (PubChem CID 175503182) has the molecular formula C31H63NO and a molecular weight of 465.85 g/mol. Its IUPAC name is 2-dodecylnonadecanamide.

Molecular Properties

Compound Name2-dodecylnonadecanamide
PubChem CID175503182
Molecular FormulaC31H63NO
Molecular Weight465.85 g/mol
Exact Mass465.49
IUPAC Name2-dodecylnonadecanamide
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C31H63NO/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-30(31(32)33)28-26-24-22-20-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H2,32,33)
InChIKeyLPAGSCYFLVNJJR-UHFFFAOYSA-N
XLogP10.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.85
LogP ≤ 510.66
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-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467
acetic acid;2-butylhexadecanamide
CID 174441858
2-undecylhexanediamide
CID 174629940
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
azane;2-ethyldodecanamide
CID 174462460
2-hexadecylicos-11-enamide
CID 173011844
12-carbamoyltricosanoic acid
CID 118615002

Frequently Asked Questions

What is the IUPAC name of 2-dodecylnonadecanamide?
The IUPAC name of 2-dodecylnonadecanamide (CID 175503182) is 2-dodecylnonadecanamide.
What is the SMILES notation for 2-dodecylnonadecanamide?
The canonical SMILES for 2-dodecylnonadecanamide is CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-dodecylnonadecanamide?
The InChIKey is LPAGSCYFLVNJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-30(31(32)33)28-26-24-22-20-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H2,32,33).
What are the key properties of 2-dodecylnonadecanamide?
2-dodecylnonadecanamide has a molecular weight of 465.85 g/mol, XLogP of 10.66, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylnonadecanamide is sourced from PubChem (CID 175503182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).