N-(6-hydroxyhexyl)butanamide

C10H21NO2 — CID 15732299

IUPACN-(6-hydroxyhexyl)butanamide
SMILESCCCC(=O)NCCCCCCO
InChIInChI=1S/C10H21NO2/c1-2-7-10(13)11-8-5-3-4-6-9-12/h12H,2-9H2,1H3,(H,11,13)
InChIKeyWVNBRADHVCQDKB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.46
Rot. Bonds8

About N-(6-hydroxyhexyl)butanamide

N-(6-hydroxyhexyl)butanamide (PubChem CID 15732299) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)butanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)butanamide
PubChem CID15732299
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(6-hydroxyhexyl)butanamide
SMILESCCCC(=O)NCCCCCCO
InChIInChI=1S/C10H21NO2/c1-2-7-10(13)11-8-5-3-4-6-9-12/h12H,2-9H2,1H3,(H,11,13)
InChIKeyWVNBRADHVCQDKB-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)butanamide?
The IUPAC name of N-(6-hydroxyhexyl)butanamide (CID 15732299) is N-(6-hydroxyhexyl)butanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)butanamide?
The canonical SMILES for N-(6-hydroxyhexyl)butanamide is CCCC(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)butanamide?
The InChIKey is WVNBRADHVCQDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-7-10(13)11-8-5-3-4-6-9-12/h12H,2-9H2,1H3,(H,11,13).
What are the key properties of N-(6-hydroxyhexyl)butanamide?
N-(6-hydroxyhexyl)butanamide has a molecular weight of 187.28 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)butanamide is sourced from PubChem (CID 15732299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).