N-[1-(diethylamino)ethyl]dodecanamide

C18H38N2O — CID 23447206

IUPACN-[1-(diethylamino)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)N(CC)CC
InChIInChI=1S/C18H38N2O/c1-5-8-9-10-11-12-13-14-15-16-18(21)19-17(4)20(6-2)7-3/h17H,5-16H2,1-4H3,(H,19,21)
InChIKeyCFJXVGQHUXCKEY-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.71
Rot. Bonds14

About N-[1-(diethylamino)ethyl]dodecanamide

N-[1-(diethylamino)ethyl]dodecanamide (PubChem CID 23447206) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-[1-(diethylamino)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethyl]dodecanamide
PubChem CID23447206
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-[1-(diethylamino)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)N(CC)CC
InChIInChI=1S/C18H38N2O/c1-5-8-9-10-11-12-13-14-15-16-18(21)19-17(4)20(6-2)7-3/h17H,5-16H2,1-4H3,(H,19,21)
InChIKeyCFJXVGQHUXCKEY-UHFFFAOYSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[ethyl(propyl)amino]ethyl]icosanamide
CID 24759517
N-[1-[ethyl(propyl)amino]ethyl]octadecanamide
CID 87289347
N-pentan-2-ylundecanamide
CID 173258559
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491
N-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
N-heptan-2-yldodecanamide
CID 3484810
N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
N-pentan-3-yldocosanamide
CID 123339332
N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide
CID 87068786
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethyl]dodecanamide?
The IUPAC name of N-[1-(diethylamino)ethyl]dodecanamide (CID 23447206) is N-[1-(diethylamino)ethyl]dodecanamide.
What is the SMILES notation for N-[1-(diethylamino)ethyl]dodecanamide?
The canonical SMILES for N-[1-(diethylamino)ethyl]dodecanamide is CCCCCCCCCCCC(=O)NC(C)N(CC)CC.
What is the InChIKey of N-[1-(diethylamino)ethyl]dodecanamide?
The InChIKey is CFJXVGQHUXCKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-8-9-10-11-12-13-14-15-16-18(21)19-17(4)20(6-2)7-3/h17H,5-16H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(diethylamino)ethyl]dodecanamide?
N-[1-(diethylamino)ethyl]dodecanamide has a molecular weight of 298.51 g/mol, XLogP of 4.71, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethyl]dodecanamide is sourced from PubChem (CID 23447206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).