N-butan-2-yl-N-butyl-5-hydroxypentanamide

C13H27NO2 — CID 79199021

IUPACN-butan-2-yl-N-butyl-5-hydroxypentanamide
SMILESCCCCN(C(=O)CCCCO)C(C)CC
InChIInChI=1S/C13H27NO2/c1-4-6-10-14(12(3)5-2)13(16)9-7-8-11-15/h12,15H,4-11H2,1-3H3
InChIKeySKVUJCIWSXOYNC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.58
Rot. Bonds9

About N-butan-2-yl-N-butyl-5-hydroxypentanamide

N-butan-2-yl-N-butyl-5-hydroxypentanamide (PubChem CID 79199021) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-hydroxypentanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-hydroxypentanamide
PubChem CID79199021
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-butan-2-yl-N-butyl-5-hydroxypentanamide
SMILESCCCCN(C(=O)CCCCO)C(C)CC
InChIInChI=1S/C13H27NO2/c1-4-6-10-14(12(3)5-2)13(16)9-7-8-11-15/h12,15H,4-11H2,1-3H3
InChIKeySKVUJCIWSXOYNC-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 N-butan-2-yl-N-butyl-5-hydroxypentanamide?
The IUPAC name of N-butan-2-yl-N-butyl-5-hydroxypentanamide (CID 79199021) is N-butan-2-yl-N-butyl-5-hydroxypentanamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-hydroxypentanamide?
The canonical SMILES for N-butan-2-yl-N-butyl-5-hydroxypentanamide is CCCCN(C(=O)CCCCO)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-hydroxypentanamide?
The InChIKey is SKVUJCIWSXOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-10-14(12(3)5-2)13(16)9-7-8-11-15/h12,15H,4-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-5-hydroxypentanamide?
N-butan-2-yl-N-butyl-5-hydroxypentanamide 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 N-butan-2-yl-N-butyl-5-hydroxypentanamide is sourced from PubChem (CID 79199021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).