N-(3-hydroxypropyl)octadecanamide

C21H43NO2 — CID 3017740

IUPACN-(3-hydroxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCO
InChIInChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23/h23H,2-20H2,1H3,(H,22,24)
InChIKeyGTBODJTVLNPEEM-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.75
Rot. Bonds19

About N-(3-hydroxypropyl)octadecanamide

N-(3-hydroxypropyl)octadecanamide (PubChem CID 3017740) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is N-(3-hydroxypropyl)octadecanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)octadecanamide
PubChem CID3017740
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC NameN-(3-hydroxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCO
InChIInChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23/h23H,2-20H2,1H3,(H,22,24)
InChIKeyGTBODJTVLNPEEM-UHFFFAOYSA-N
XLogP5.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.75
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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)octadecanamide?
The IUPAC name of N-(3-hydroxypropyl)octadecanamide (CID 3017740) is N-(3-hydroxypropyl)octadecanamide.
What is the SMILES notation for N-(3-hydroxypropyl)octadecanamide?
The canonical SMILES for N-(3-hydroxypropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)octadecanamide?
The InChIKey is GTBODJTVLNPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23/h23H,2-20H2,1H3,(H,22,24).
What are the key properties of N-(3-hydroxypropyl)octadecanamide?
N-(3-hydroxypropyl)octadecanamide has a molecular weight of 341.58 g/mol, XLogP of 5.75, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)octadecanamide is sourced from PubChem (CID 3017740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).