N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide

C15H31NO2 — CID 113331570

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
SMILESCCCCCCCC(=O)NCC(CC)(CC)CO
InChIInChI=1S/C15H31NO2/c1-4-7-8-9-10-11-14(18)16-12-15(5-2,6-3)13-17/h17H,4-13H2,1-3H3,(H,16,18)
InChIKeyNYIVIOTYXSOSAI-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.26
Rot. Bonds11

About N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide (PubChem CID 113331570) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
PubChem CID113331570
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
SMILESCCCCCCCC(=O)NCC(CC)(CC)CO
InChIInChI=1S/C15H31NO2/c1-4-7-8-9-10-11-14(18)16-12-15(5-2,6-3)13-17/h17H,4-13H2,1-3H3,(H,16,18)
InChIKeyNYIVIOTYXSOSAI-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
N-(hydroxymethyl)henicosanamide
CID 102116485
docosanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;octanedioic acid
CID 159164096
tetrakis(dodecanoic acid);bis(2-ethyl-2-(hydroxymethyl)propane-1,3-diol)
CID 162110945
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;octanoic acid
CID 18692882
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide (CID 113331570) is N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide is CCCCCCCC(=O)NCC(CC)(CC)CO.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide?
The InChIKey is NYIVIOTYXSOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-7-8-9-10-11-14(18)16-12-15(5-2,6-3)13-17/h17H,4-13H2,1-3H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide has a molecular weight of 257.42 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide is sourced from PubChem (CID 113331570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).