N,N-diethyl-2-octyldodecanamide

C24H49NO — CID 54517458

IUPACN,N-diethyl-2-octyldodecanamide
SMILESCCCCCCCCCCC(CCCCCCCC)C(=O)N(CC)CC
InChIInChI=1S/C24H49NO/c1-5-9-11-13-15-16-18-20-22-23(24(26)25(7-3)8-4)21-19-17-14-12-10-6-2/h23H,5-22H2,1-4H3
InChIKeyYNJSAGLBFRQMJV-UHFFFAOYSA-N
MW367.66 g/mol
LogP7.75
Rot. Bonds19

About N,N-diethyl-2-octyldodecanamide

N,N-diethyl-2-octyldodecanamide (PubChem CID 54517458) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is N,N-diethyl-2-octyldodecanamide.

Molecular Properties

Compound NameN,N-diethyl-2-octyldodecanamide
PubChem CID54517458
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC NameN,N-diethyl-2-octyldodecanamide
SMILESCCCCCCCCCCC(CCCCCCCC)C(=O)N(CC)CC
InChIInChI=1S/C24H49NO/c1-5-9-11-13-15-16-18-20-22-23(24(26)25(7-3)8-4)21-19-17-14-12-10-6-2/h23H,5-22H2,1-4H3
InChIKeyYNJSAGLBFRQMJV-UHFFFAOYSA-N
XLogP7.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyldodecanamide
CID 18783
Isostearamidopropyl Dimethylamine
CID 105621
N,N-Dibutyldodecanamide
CID 219313
N-(14-Methylhexadecanoyl)pyrrolidine
CID 6430518
N,N-bis(2-ethylhexyl)-2-methylpropanamide
CID 532801
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
Hexanamide, N,N,2-triethyl-
CID 112187
N,N-dibutyldecanamide
CID 304086
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-octyldodecanamide?
The IUPAC name of N,N-diethyl-2-octyldodecanamide (CID 54517458) is N,N-diethyl-2-octyldodecanamide.
What is the SMILES notation for N,N-diethyl-2-octyldodecanamide?
The canonical SMILES for N,N-diethyl-2-octyldodecanamide is CCCCCCCCCCC(CCCCCCCC)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-octyldodecanamide?
The InChIKey is YNJSAGLBFRQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-5-9-11-13-15-16-18-20-22-23(24(26)25(7-3)8-4)21-19-17-14-12-10-6-2/h23H,5-22H2,1-4H3.
What are the key properties of N,N-diethyl-2-octyldodecanamide?
N,N-diethyl-2-octyldodecanamide has a molecular weight of 367.66 g/mol, XLogP of 7.75, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-octyldodecanamide is sourced from PubChem (CID 54517458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).