6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide

C16H32N2O4 — CID 14548422

IUPAC6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide
SMILESO=C(CCCCCO)NCCCCNC(=O)CCCCCO
InChIInChI=1S/C16H32N2O4/c19-13-7-1-3-9-15(21)17-11-5-6-12-18-16(22)10-4-2-8-14-20/h19-20H,1-14H2,(H,17,21)(H,18,22)
InChIKeyWBAJDTBDYRUTKN-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.10
Rot. Bonds15

About 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide

6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide (PubChem CID 14548422) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide.

Molecular Properties

Compound Name6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide
PubChem CID14548422
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide
SMILESO=C(CCCCCO)NCCCCNC(=O)CCCCCO
InChIInChI=1S/C16H32N2O4/c19-13-7-1-3-9-15(21)17-11-5-6-12-18-16(22)10-4-2-8-14-20/h19-20H,1-14H2,(H,17,21)(H,18,22)
InChIKeyWBAJDTBDYRUTKN-UHFFFAOYSA-N
XLogP1.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.10
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-[4-(6-hydroxyhexanoylamino)butyl]hexanamide?
The IUPAC name of 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide (CID 14548422) is 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide.
What is the SMILES notation for 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide?
The canonical SMILES for 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide is O=C(CCCCCO)NCCCCNC(=O)CCCCCO.
What is the InChIKey of 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide?
The InChIKey is WBAJDTBDYRUTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c19-13-7-1-3-9-15(21)17-11-5-6-12-18-16(22)10-4-2-8-14-20/h19-20H,1-14H2,(H,17,21)(H,18,22).
What are the key properties of 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide?
6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide has a molecular weight of 316.44 g/mol, XLogP of 1.10, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[4-(6-hydroxyhexanoylamino)butyl]hexanamide is sourced from PubChem (CID 14548422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).