4-hydroxy-N-pentyl-N-propan-2-ylpentanamide

C13H27NO2 — CID 79200125

IUPAC4-hydroxy-N-pentyl-N-propan-2-ylpentanamide
SMILESCCCCCN(C(=O)CCC(C)O)C(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-10-14(11(2)3)13(16)9-8-12(4)15/h11-12,15H,5-10H2,1-4H3
InChIKeyDGUUHPOSODUXJE-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.57
Rot. Bonds8

About 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide

4-hydroxy-N-pentyl-N-propan-2-ylpentanamide (PubChem CID 79200125) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name4-hydroxy-N-pentyl-N-propan-2-ylpentanamide
PubChem CID79200125
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-hydroxy-N-pentyl-N-propan-2-ylpentanamide
SMILESCCCCCN(C(=O)CCC(C)O)C(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-10-14(11(2)3)13(16)9-8-12(4)15/h11-12,15H,5-10H2,1-4H3
InChIKeyDGUUHPOSODUXJE-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.57
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 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
The IUPAC name of 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide (CID 79200125) is 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
The canonical SMILES for 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide is CCCCCN(C(=O)CCC(C)O)C(C)C.
What is the InChIKey of 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
The InChIKey is DGUUHPOSODUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-10-14(11(2)3)13(16)9-8-12(4)15/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide?
4-hydroxy-N-pentyl-N-propan-2-ylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-pentyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 79200125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).