6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide

C14H28N2O4 — CID 71346677

IUPAC6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide
SMILESO=C(CCCCCO)NCCNC(=O)CCCCCO
InChIInChI=1S/C14H28N2O4/c17-11-5-1-3-7-13(19)15-9-10-16-14(20)8-4-2-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20)
InChIKeyCFFICXVGSURQOO-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.32
Rot. Bonds13

About 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide

6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide (PubChem CID 71346677) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide
PubChem CID71346677
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide
SMILESO=C(CCCCCO)NCCNC(=O)CCCCCO
InChIInChI=1S/C14H28N2O4/c17-11-5-1-3-7-13(19)15-9-10-16-14(20)8-4-2-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20)
InChIKeyCFFICXVGSURQOO-UHFFFAOYSA-N
XLogP0.32
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide?
The IUPAC name of 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide (CID 71346677) is 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide.
What is the SMILES notation for 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide?
The canonical SMILES for 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide is O=C(CCCCCO)NCCNC(=O)CCCCCO.
What is the InChIKey of 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide?
The InChIKey is CFFICXVGSURQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c17-11-5-1-3-7-13(19)15-9-10-16-14(20)8-4-2-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20).
What are the key properties of 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide?
6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide has a molecular weight of 288.39 g/mol, XLogP of 0.32, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[2-(6-hydroxyhexanoylamino)ethyl]hexanamide is sourced from PubChem (CID 71346677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).