N-(2-hydroxyoctan-4-yl)hexanamide

C14H29NO2 — CID 59642220

IUPACN-(2-hydroxyoctan-4-yl)hexanamide
SMILESCCCCCC(=O)NC(CCCC)CC(C)O
InChIInChI=1S/C14H29NO2/c1-4-6-8-10-14(17)15-13(9-7-5-2)11-12(3)16/h12-13,16H,4-11H2,1-3H3,(H,15,17)
InChIKeySCMALBAEAQDIBY-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.01
Rot. Bonds10

About N-(2-hydroxyoctan-4-yl)hexanamide

N-(2-hydroxyoctan-4-yl)hexanamide (PubChem CID 59642220) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-hydroxyoctan-4-yl)hexanamide.

Molecular Properties

Compound NameN-(2-hydroxyoctan-4-yl)hexanamide
PubChem CID59642220
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-hydroxyoctan-4-yl)hexanamide
SMILESCCCCCC(=O)NC(CCCC)CC(C)O
InChIInChI=1S/C14H29NO2/c1-4-6-8-10-14(17)15-13(9-7-5-2)11-12(3)16/h12-13,16H,4-11H2,1-3H3,(H,15,17)
InChIKeySCMALBAEAQDIBY-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.01
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-(2-hydroxyoctan-4-yl)hexanamide?
The IUPAC name of N-(2-hydroxyoctan-4-yl)hexanamide (CID 59642220) is N-(2-hydroxyoctan-4-yl)hexanamide.
What is the SMILES notation for N-(2-hydroxyoctan-4-yl)hexanamide?
The canonical SMILES for N-(2-hydroxyoctan-4-yl)hexanamide is CCCCCC(=O)NC(CCCC)CC(C)O.
What is the InChIKey of N-(2-hydroxyoctan-4-yl)hexanamide?
The InChIKey is SCMALBAEAQDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-8-10-14(17)15-13(9-7-5-2)11-12(3)16/h12-13,16H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxyoctan-4-yl)hexanamide?
N-(2-hydroxyoctan-4-yl)hexanamide has a molecular weight of 243.39 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyoctan-4-yl)hexanamide is sourced from PubChem (CID 59642220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).