N-[2-(ethylamino)butan-2-yl]icosanamide

C26H54N2O — CID 158301838

IUPACN-[2-(ethylamino)butan-2-yl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CC)NCC
InChIInChI=1S/C26H54N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(29)28-26(4,6-2)27-7-3/h27H,5-24H2,1-4H3,(H,28,29)
InChIKeyIFSFVIQCMIICNL-UHFFFAOYSA-N
MW410.73 g/mol
LogP7.88
Rot. Bonds22

About N-[2-(ethylamino)butan-2-yl]icosanamide

N-[2-(ethylamino)butan-2-yl]icosanamide (PubChem CID 158301838) has the molecular formula C26H54N2O and a molecular weight of 410.73 g/mol. Its IUPAC name is N-[2-(ethylamino)butan-2-yl]icosanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)butan-2-yl]icosanamide
PubChem CID158301838
Molecular FormulaC26H54N2O
Molecular Weight410.73 g/mol
Exact Mass410.42
IUPAC NameN-[2-(ethylamino)butan-2-yl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CC)NCC
InChIInChI=1S/C26H54N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(29)28-26(4,6-2)27-7-3/h27H,5-24H2,1-4H3,(H,28,29)
InChIKeyIFSFVIQCMIICNL-UHFFFAOYSA-N
XLogP7.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 57.88
H-Bond Donors ≤ 52
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-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-(1-bromo-2-methylbutan-2-yl)hexanamide
CID 114314353

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)butan-2-yl]icosanamide?
The IUPAC name of N-[2-(ethylamino)butan-2-yl]icosanamide (CID 158301838) is N-[2-(ethylamino)butan-2-yl]icosanamide.
What is the SMILES notation for N-[2-(ethylamino)butan-2-yl]icosanamide?
The canonical SMILES for N-[2-(ethylamino)butan-2-yl]icosanamide is CCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CC)NCC.
What is the InChIKey of N-[2-(ethylamino)butan-2-yl]icosanamide?
The InChIKey is IFSFVIQCMIICNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(29)28-26(4,6-2)27-7-3/h27H,5-24H2,1-4H3,(H,28,29).
What are the key properties of N-[2-(ethylamino)butan-2-yl]icosanamide?
N-[2-(ethylamino)butan-2-yl]icosanamide has a molecular weight of 410.73 g/mol, XLogP of 7.88, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)butan-2-yl]icosanamide is sourced from PubChem (CID 158301838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).