5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide

C16H32N2O4 — CID 101050420

IUPAC5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
SMILESCC(O)CCCC(=O)NCCCCNC(=O)CCCC(C)O
InChIInChI=1S/C16H32N2O4/c1-13(19)7-5-9-15(21)17-11-3-4-12-18-16(22)10-6-8-14(2)20/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyJUIFPFTYCFVLBO-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.10
Rot. Bonds13

About 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide

5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide (PubChem CID 101050420) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide.

Molecular Properties

Compound Name5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
PubChem CID101050420
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
SMILESCC(O)CCCC(=O)NCCCCNC(=O)CCCC(C)O
InChIInChI=1S/C16H32N2O4/c1-13(19)7-5-9-15(21)17-11-3-4-12-18-16(22)10-6-8-14(2)20/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyJUIFPFTYCFVLBO-UHFFFAOYSA-N
XLogP1.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
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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Related Compounds

6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
N-(6-hydroxyheptyl)propanamide
CID 91284740
2-(5-hydroxyhexanoylamino)acetic acid
CID 131802905
N-(4-hydroxypentyl)propanamide
CID 107299540
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide?
The IUPAC name of 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide (CID 101050420) is 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide.
What is the SMILES notation for 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide?
The canonical SMILES for 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide is CC(O)CCCC(=O)NCCCCNC(=O)CCCC(C)O.
What is the InChIKey of 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide?
The InChIKey is JUIFPFTYCFVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-13(19)7-5-9-15(21)17-11-3-4-12-18-16(22)10-6-8-14(2)20/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide?
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide has a molecular weight of 316.44 g/mol, XLogP of 1.10, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide is sourced from PubChem (CID 101050420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).