N-(2-amino-4-hydroxybutyl)dodecanamide

C16H34N2O2 — CID 54436170

IUPACN-(2-amino-4-hydroxybutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(N)CCO
InChIInChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-14-15(17)12-13-19/h15,19H,2-14,17H2,1H3,(H,18,20)
InChIKeyWKWFKRNZPYYUQJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.73
Rot. Bonds14

About N-(2-amino-4-hydroxybutyl)dodecanamide

N-(2-amino-4-hydroxybutyl)dodecanamide (PubChem CID 54436170) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(2-amino-4-hydroxybutyl)dodecanamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxybutyl)dodecanamide
PubChem CID54436170
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC NameN-(2-amino-4-hydroxybutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(N)CCO
InChIInChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-14-15(17)12-13-19/h15,19H,2-14,17H2,1H3,(H,18,20)
InChIKeyWKWFKRNZPYYUQJ-UHFFFAOYSA-N
XLogP2.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopentyl)pentanamide
CID 115737691
N-(2-aminopropyl)octadecanamide
CID 86003506
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide
CID 177324933
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-(hydroxymethyl)henicosanamide
CID 102116485
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-(2-methylpentyl)hexanamide
CID 173325003

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxybutyl)dodecanamide?
The IUPAC name of N-(2-amino-4-hydroxybutyl)dodecanamide (CID 54436170) is N-(2-amino-4-hydroxybutyl)dodecanamide.
What is the SMILES notation for N-(2-amino-4-hydroxybutyl)dodecanamide?
The canonical SMILES for N-(2-amino-4-hydroxybutyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(N)CCO.
What is the InChIKey of N-(2-amino-4-hydroxybutyl)dodecanamide?
The InChIKey is WKWFKRNZPYYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-14-15(17)12-13-19/h15,19H,2-14,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4-hydroxybutyl)dodecanamide?
N-(2-amino-4-hydroxybutyl)dodecanamide has a molecular weight of 286.46 g/mol, XLogP of 2.73, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxybutyl)dodecanamide is sourced from PubChem (CID 54436170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).