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

C27H56N2O — CID 24759517

IUPACN-[1-[ethyl(propyl)amino]ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NC(C)N(CC)CCC
InChIInChI=1S/C27H56N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-26(4)29(7-3)25-6-2/h26H,5-25H2,1-4H3,(H,28,30)
InChIKeyKVHVJHWDAHORQH-UHFFFAOYSA-N
MW424.76 g/mol
LogP8.22
Rot. Bonds23

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

N-[1-[ethyl(propyl)amino]ethyl]icosanamide (PubChem CID 24759517) has the molecular formula C27H56N2O and a molecular weight of 424.76 g/mol. Its IUPAC name is N-[1-[ethyl(propyl)amino]ethyl]icosanamide.

Molecular Properties

Compound NameN-[1-[ethyl(propyl)amino]ethyl]icosanamide
PubChem CID24759517
Molecular FormulaC27H56N2O
Molecular Weight424.76 g/mol
Exact Mass424.44
IUPAC NameN-[1-[ethyl(propyl)amino]ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NC(C)N(CC)CCC
InChIInChI=1S/C27H56N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-26(4)29(7-3)25-6-2/h26H,5-25H2,1-4H3,(H,28,30)
InChIKeyKVHVJHWDAHORQH-UHFFFAOYSA-N
XLogP8.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.76
LogP ≤ 58.22
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]octadecanamide
CID 87289347
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-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
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]icosanamide?
The IUPAC name of N-[1-[ethyl(propyl)amino]ethyl]icosanamide (CID 24759517) is N-[1-[ethyl(propyl)amino]ethyl]icosanamide.
What is the SMILES notation for N-[1-[ethyl(propyl)amino]ethyl]icosanamide?
The canonical SMILES for N-[1-[ethyl(propyl)amino]ethyl]icosanamide is CCCCCCCCCCCCCCCCCCCC(=O)NC(C)N(CC)CCC.
What is the InChIKey of N-[1-[ethyl(propyl)amino]ethyl]icosanamide?
The InChIKey is KVHVJHWDAHORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-26(4)29(7-3)25-6-2/h26H,5-25H2,1-4H3,(H,28,30).
What are the key properties of N-[1-[ethyl(propyl)amino]ethyl]icosanamide?
N-[1-[ethyl(propyl)amino]ethyl]icosanamide has a molecular weight of 424.76 g/mol, XLogP of 8.22, 23 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]icosanamide is sourced from PubChem (CID 24759517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).