N-[1-(ethylamino)butyl]dodecanamide

C18H38N2O — CID 87831104

IUPACN-[1-(ethylamino)butyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CCC)NCC
InChIInChI=1S/C18H38N2O/c1-4-7-8-9-10-11-12-13-14-16-18(21)20-17(15-5-2)19-6-3/h17,19H,4-16H2,1-3H3,(H,20,21)
InChIKeyASKWTLNCRPQJGK-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.76
Rot. Bonds15

About N-[1-(ethylamino)butyl]dodecanamide

N-[1-(ethylamino)butyl]dodecanamide (PubChem CID 87831104) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-[1-(ethylamino)butyl]dodecanamide.

Molecular Properties

Compound NameN-[1-(ethylamino)butyl]dodecanamide
PubChem CID87831104
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-[1-(ethylamino)butyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CCC)NCC
InChIInChI=1S/C18H38N2O/c1-4-7-8-9-10-11-12-13-14-16-18(21)20-17(15-5-2)19-6-3/h17,19H,4-16H2,1-3H3,(H,20,21)
InChIKeyASKWTLNCRPQJGK-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.76
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-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-(1-hydroxybutyl)decanamide
CID 87762139
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
N-[1-(methylamino)propyl]docosanamide
CID 87067975
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(1-oxohexan-2-yl)decanamide
CID 57129531
N-pentan-3-yldocosanamide
CID 123339332
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
2-hydroxy-2-(octanoylamino)acetic acid
CID 45122268

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)butyl]dodecanamide?
The IUPAC name of N-[1-(ethylamino)butyl]dodecanamide (CID 87831104) is N-[1-(ethylamino)butyl]dodecanamide.
What is the SMILES notation for N-[1-(ethylamino)butyl]dodecanamide?
The canonical SMILES for N-[1-(ethylamino)butyl]dodecanamide is CCCCCCCCCCCC(=O)NC(CCC)NCC.
What is the InChIKey of N-[1-(ethylamino)butyl]dodecanamide?
The InChIKey is ASKWTLNCRPQJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-7-8-9-10-11-12-13-14-16-18(21)20-17(15-5-2)19-6-3/h17,19H,4-16H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(ethylamino)butyl]dodecanamide?
N-[1-(ethylamino)butyl]dodecanamide has a molecular weight of 298.51 g/mol, XLogP of 4.76, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)butyl]dodecanamide is sourced from PubChem (CID 87831104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).