N-dodecyl-4-hydroxybutanamide

C16H33NO2 — CID 13060239

IUPACN-dodecyl-4-hydroxybutanamide
SMILESCCCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(19)13-12-15-18/h18H,2-15H2,1H3,(H,17,19)
InChIKeyXDLZKXFUWLXBCL-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.80
Rot. Bonds14

About N-dodecyl-4-hydroxybutanamide

N-dodecyl-4-hydroxybutanamide (PubChem CID 13060239) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-dodecyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-dodecyl-4-hydroxybutanamide
PubChem CID13060239
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-dodecyl-4-hydroxybutanamide
SMILESCCCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(19)13-12-15-18/h18H,2-15H2,1H3,(H,17,19)
InChIKeyXDLZKXFUWLXBCL-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.80
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

N-(3-hydroxypropyl)hexadecanamide
CID 9922829
3-Hydroxy-N-pentadecyl-propionamide
CID 11055663
N-(3-Hydroxypropyl)octadecanamide
CID 3017740
Polylauryllactam-block-polytetrahydrofuran
CID 16212798
N-heptyl-4-hydroxy-2-methylbutanamide
CID 2807485
N-tetradecyl-gamma-hydroxybutyric acid amide
CID 10017647
N-Decyl-4-hydroxybutyramide
CID 11139345
N-butyl-4-hydroxybutanamide
CID 13060238
N-(6-Hydroxyhexyl)butanamide
CID 15732299
4-Hydroxy-n,n-ditetradecyl-butyramide
CID 17957567
N-(1-hydroxyethyl)octadecanamide
CID 23619364
N-(1-hydroxyethyl)tetradecanamide
CID 57173167

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-4-hydroxybutanamide?
The IUPAC name of N-dodecyl-4-hydroxybutanamide (CID 13060239) is N-dodecyl-4-hydroxybutanamide.
What is the SMILES notation for N-dodecyl-4-hydroxybutanamide?
The canonical SMILES for N-dodecyl-4-hydroxybutanamide is CCCCCCCCCCCCNC(=O)CCCO.
What is the InChIKey of N-dodecyl-4-hydroxybutanamide?
The InChIKey is XDLZKXFUWLXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(19)13-12-15-18/h18H,2-15H2,1H3,(H,17,19).
What are the key properties of N-dodecyl-4-hydroxybutanamide?
N-dodecyl-4-hydroxybutanamide has a molecular weight of 271.44 g/mol, XLogP of 3.80, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-hydroxybutanamide is sourced from PubChem (CID 13060239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).