4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide

C14H28N2O4 — CID 14548420

IUPAC4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide
SMILESO=C(CCCO)NCCCCCCNC(=O)CCCO
InChIInChI=1S/C14H28N2O4/c17-11-5-7-13(19)15-9-3-1-2-4-10-16-14(20)8-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20)
InChIKeyFCHCCQQVUZBSIR-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.32
Rot. Bonds13

About 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide

4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide (PubChem CID 14548420) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide
PubChem CID14548420
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide
SMILESO=C(CCCO)NCCCCCCNC(=O)CCCO
InChIInChI=1S/C14H28N2O4/c17-11-5-7-13(19)15-9-3-1-2-4-10-16-14(20)8-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20)
InChIKeyFCHCCQQVUZBSIR-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 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide?
The IUPAC name of 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide (CID 14548420) is 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide is O=C(CCCO)NCCCCCCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide?
The InChIKey is FCHCCQQVUZBSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c17-11-5-7-13(19)15-9-3-1-2-4-10-16-14(20)8-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20).
What are the key properties of 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide?
4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide 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 4-hydroxy-N-[6-(4-hydroxybutanoylamino)hexyl]butanamide is sourced from PubChem (CID 14548420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).