5-hydroxy-N-methyl-N-propan-2-ylpentanamide

C9H19NO2 — CID 79199168

IUPAC5-hydroxy-N-methyl-N-propan-2-ylpentanamide
SMILESCC(C)N(C)C(=O)CCCCO
InChIInChI=1S/C9H19NO2/c1-8(2)10(3)9(12)6-4-5-7-11/h8,11H,4-7H2,1-3H3
InChIKeyJUHGUOUCABKQGM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.02
Rot. Bonds5

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

5-hydroxy-N-methyl-N-propan-2-ylpentanamide (PubChem CID 79199168) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-propan-2-ylpentanamide
PubChem CID79199168
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-hydroxy-N-methyl-N-propan-2-ylpentanamide
SMILESCC(C)N(C)C(=O)CCCCO
InChIInChI=1S/C9H19NO2/c1-8(2)10(3)9(12)6-4-5-7-11/h8,11H,4-7H2,1-3H3
InChIKeyJUHGUOUCABKQGM-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.02
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-methyl-N-propan-2-ylpentanamide?
The IUPAC name of 5-hydroxy-N-methyl-N-propan-2-ylpentanamide (CID 79199168) is 5-hydroxy-N-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-propan-2-ylpentanamide is CC(C)N(C)C(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-methyl-N-propan-2-ylpentanamide?
The InChIKey is JUHGUOUCABKQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)10(3)9(12)6-4-5-7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of 5-hydroxy-N-methyl-N-propan-2-ylpentanamide?
5-hydroxy-N-methyl-N-propan-2-ylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 79199168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).