N-[1-[ethyl(propyl)amino]ethyl]octadecanamide

C25H52N2O — CID 87289347

IUPACN-[1-[ethyl(propyl)amino]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)N(CC)CCC
InChIInChI=1S/C25H52N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-24(4)27(7-3)23-6-2/h24H,5-23H2,1-4H3,(H,26,28)
InChIKeyHHQJVTOHTWPVSP-UHFFFAOYSA-N
MW396.70 g/mol
LogP7.44
Rot. Bonds21

About N-[1-[ethyl(propyl)amino]ethyl]octadecanamide

N-[1-[ethyl(propyl)amino]ethyl]octadecanamide (PubChem CID 87289347) has the molecular formula C25H52N2O and a molecular weight of 396.70 g/mol. Its IUPAC name is N-[1-[ethyl(propyl)amino]ethyl]octadecanamide.

Molecular Properties

Compound NameN-[1-[ethyl(propyl)amino]ethyl]octadecanamide
PubChem CID87289347
Molecular FormulaC25H52N2O
Molecular Weight396.70 g/mol
Exact Mass396.41
IUPAC NameN-[1-[ethyl(propyl)amino]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)N(CC)CCC
InChIInChI=1S/C25H52N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-24(4)27(7-3)23-6-2/h24H,5-23H2,1-4H3,(H,26,28)
InChIKeyHHQJVTOHTWPVSP-UHFFFAOYSA-N
XLogP7.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 57.44
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-(diethylamino)ethyl]dodecanamide
CID 23447206
2-[ethyl(propyl)amino]octadecan-3-one
CID 175572404
N-pentan-2-ylundecanamide
CID 173258559
2-[2-hydroxyethyl-[1-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]acetic acid
CID 141398298
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
N-pentan-3-yldocosanamide
CID 123339332

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl(propyl)amino]ethyl]octadecanamide?
The IUPAC name of N-[1-[ethyl(propyl)amino]ethyl]octadecanamide (CID 87289347) is N-[1-[ethyl(propyl)amino]ethyl]octadecanamide.
What is the SMILES notation for N-[1-[ethyl(propyl)amino]ethyl]octadecanamide?
The canonical SMILES for N-[1-[ethyl(propyl)amino]ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(C)N(CC)CCC.
What is the InChIKey of N-[1-[ethyl(propyl)amino]ethyl]octadecanamide?
The InChIKey is HHQJVTOHTWPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-24(4)27(7-3)23-6-2/h24H,5-23H2,1-4H3,(H,26,28).
What are the key properties of N-[1-[ethyl(propyl)amino]ethyl]octadecanamide?
N-[1-[ethyl(propyl)amino]ethyl]octadecanamide has a molecular weight of 396.70 g/mol, XLogP of 7.44, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl(propyl)amino]ethyl]octadecanamide is sourced from PubChem (CID 87289347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).