2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide

C18H35NO3 — CID 11551397

IUPAC2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide
SMILESCCCCCCCC(=O)C(CCCCCC)C(=O)NCCO
InChIInChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h16,20H,3-15H2,1-2H3,(H,19,22)
InChIKeyOKPVDVORYUWJHI-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.61
Rot. Bonds15

About 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide

2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide (PubChem CID 11551397) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide.

Molecular Properties

Compound Name2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide
PubChem CID11551397
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide
SMILESCCCCCCCC(=O)C(CCCCCC)C(=O)NCCO
InChIInChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h16,20H,3-15H2,1-2H3,(H,19,22)
InChIKeyOKPVDVORYUWJHI-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide?
The IUPAC name of 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide (CID 11551397) is 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide.
What is the SMILES notation for 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide?
The canonical SMILES for 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide is CCCCCCCC(=O)C(CCCCCC)C(=O)NCCO.
What is the InChIKey of 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide?
The InChIKey is OKPVDVORYUWJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h16,20H,3-15H2,1-2H3,(H,19,22).
What are the key properties of 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide?
2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide has a molecular weight of 313.48 g/mol, XLogP of 3.61, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide is sourced from PubChem (CID 11551397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).