N-heptadecyl-4-hydroxybutanamide

C21H43NO2 — CID 100934326

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

About N-heptadecyl-4-hydroxybutanamide

N-heptadecyl-4-hydroxybutanamide (PubChem CID 100934326) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is N-heptadecyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-heptadecyl-4-hydroxybutanamide
PubChem CID100934326
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC NameN-heptadecyl-4-hydroxybutanamide
SMILESCCCCCCCCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-21(24)18-17-20-23/h23H,2-20H2,1H3,(H,22,24)
InChIKeyNVMBQSNIDRKRPF-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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Related Compounds

4-hydroxy-N-tetracosylbutanamide
CID 141048355
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-(3-hydroxypropyl)docosanamide
CID 87200048
3-hydroxy-N-pentadecylpropanamide
CID 11055663
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-heptadecyl-4-hydroxybutanamide?
The IUPAC name of N-heptadecyl-4-hydroxybutanamide (CID 100934326) is N-heptadecyl-4-hydroxybutanamide.
What is the SMILES notation for N-heptadecyl-4-hydroxybutanamide?
The canonical SMILES for N-heptadecyl-4-hydroxybutanamide is CCCCCCCCCCCCCCCCCNC(=O)CCCO.
What is the InChIKey of N-heptadecyl-4-hydroxybutanamide?
The InChIKey is NVMBQSNIDRKRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-21(24)18-17-20-23/h23H,2-20H2,1H3,(H,22,24).
What are the key properties of N-heptadecyl-4-hydroxybutanamide?
N-heptadecyl-4-hydroxybutanamide 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-heptadecyl-4-hydroxybutanamide is sourced from PubChem (CID 100934326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).