5-hydroxy-N-pentyl-N-propan-2-ylpentanamide

C13H27NO2 — CID 79199113

IUPAC5-hydroxy-N-pentyl-N-propan-2-ylpentanamide
SMILESCCCCCN(C(=O)CCCCO)C(C)C
InChIInChI=1S/C13H27NO2/c1-4-5-7-10-14(12(2)3)13(16)9-6-8-11-15/h12,15H,4-11H2,1-3H3
InChIKeyCDUFUYMMOVYIOP-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.58
Rot. Bonds9

About 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide

5-hydroxy-N-pentyl-N-propan-2-ylpentanamide (PubChem CID 79199113) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-hydroxy-N-pentyl-N-propan-2-ylpentanamide
PubChem CID79199113
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-hydroxy-N-pentyl-N-propan-2-ylpentanamide
SMILESCCCCCN(C(=O)CCCCO)C(C)C
InChIInChI=1S/C13H27NO2/c1-4-5-7-10-14(12(2)3)13(16)9-6-8-11-15/h12,15H,4-11H2,1-3H3
InChIKeyCDUFUYMMOVYIOP-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
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 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
The IUPAC name of 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide (CID 79199113) is 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
The canonical SMILES for 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide is CCCCCN(C(=O)CCCCO)C(C)C.
What is the InChIKey of 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
The InChIKey is CDUFUYMMOVYIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-5-7-10-14(12(2)3)13(16)9-6-8-11-15/h12,15H,4-11H2,1-3H3.
What are the key properties of 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
5-hydroxy-N-pentyl-N-propan-2-ylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-pentyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 79199113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).