3-hydroxy-N-pentylpropanamide

C8H17NO2 — CID 94252202

IUPAC3-hydroxy-N-pentylpropanamide
SMILESCCCCCNC(=O)CCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-6-9-8(11)5-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyAJBQQAQDYXRKAC-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.68
Rot. Bonds6

About 3-hydroxy-N-pentylpropanamide

3-hydroxy-N-pentylpropanamide (PubChem CID 94252202) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-hydroxy-N-pentylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-pentylpropanamide
PubChem CID94252202
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-hydroxy-N-pentylpropanamide
SMILESCCCCCNC(=O)CCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-6-9-8(11)5-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyAJBQQAQDYXRKAC-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.68
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

3-hydroxy-N-pentadecylpropanamide
CID 11055663
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-tetracosylbutanamide
CID 141048355
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-pentylpropanamide?
The IUPAC name of 3-hydroxy-N-pentylpropanamide (CID 94252202) is 3-hydroxy-N-pentylpropanamide.
What is the SMILES notation for 3-hydroxy-N-pentylpropanamide?
The canonical SMILES for 3-hydroxy-N-pentylpropanamide is CCCCCNC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-pentylpropanamide?
The InChIKey is AJBQQAQDYXRKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-6-9-8(11)5-7-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of 3-hydroxy-N-pentylpropanamide?
3-hydroxy-N-pentylpropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-pentylpropanamide is sourced from PubChem (CID 94252202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).