N,N-bis(2-ethylhexyl)octanamide

C24H49NO — CID 533137

IUPACN,N-bis(2-ethylhexyl)octanamide
SMILESCCCCCCCC(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C24H49NO/c1-6-11-14-15-16-19-24(26)25(20-22(9-4)17-12-7-2)21-23(10-5)18-13-8-3/h22-23H,6-21H2,1-5H3
InChIKeyYIFFKQRYDMQYPQ-UHFFFAOYSA-N
MW367.66 g/mol
LogP7.61
Rot. Bonds18

About N,N-bis(2-ethylhexyl)octanamide

N,N-bis(2-ethylhexyl)octanamide (PubChem CID 533137) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)octanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)octanamide
PubChem CID533137
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC NameN,N-bis(2-ethylhexyl)octanamide
SMILESCCCCCCCC(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C24H49NO/c1-6-11-14-15-16-19-24(26)25(20-22(9-4)17-12-7-2)21-23(10-5)18-13-8-3/h22-23H,6-21H2,1-5H3
InChIKeyYIFFKQRYDMQYPQ-UHFFFAOYSA-N
XLogP7.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.61
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
N,N-Dibutyldodecanamide
CID 219313
Diethyl caprylamide
CID 70456
N-(14-Methylhexadecanoyl)pyrrolidine
CID 6430518
N-cyclohexanecarbonylpentadecylamine
CID 44398718
N,N-Diethyldecanamide
CID 304087
N,N-bis(2-ethylhexyl)-2-methylpropanamide
CID 532801
N,N-diethylnonanamide
CID 303119
N,N-dibutyldecanamide
CID 304086
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)octanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)octanamide (CID 533137) is N,N-bis(2-ethylhexyl)octanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)octanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)octanamide is CCCCCCCC(=O)N(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of N,N-bis(2-ethylhexyl)octanamide?
The InChIKey is YIFFKQRYDMQYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-6-11-14-15-16-19-24(26)25(20-22(9-4)17-12-7-2)21-23(10-5)18-13-8-3/h22-23H,6-21H2,1-5H3.
What are the key properties of N,N-bis(2-ethylhexyl)octanamide?
N,N-bis(2-ethylhexyl)octanamide has a molecular weight of 367.66 g/mol, XLogP of 7.61, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)octanamide is sourced from PubChem (CID 533137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).