6-acetamido-N-(3-hydroxypentyl)hexanamide

C13H26N2O3 — CID 115703434

IUPAC6-acetamido-N-(3-hydroxypentyl)hexanamide
SMILESCCC(O)CCNC(=O)CCCCCNC(C)=O
InChIInChI=1S/C13H26N2O3/c1-3-12(17)8-10-15-13(18)7-5-4-6-9-14-11(2)16/h12,17H,3-10H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyIXEJRFCOEXWROB-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.96
Rot. Bonds10

About 6-acetamido-N-(3-hydroxypentyl)hexanamide

6-acetamido-N-(3-hydroxypentyl)hexanamide (PubChem CID 115703434) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-acetamido-N-(3-hydroxypentyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(3-hydroxypentyl)hexanamide
PubChem CID115703434
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-acetamido-N-(3-hydroxypentyl)hexanamide
SMILESCCC(O)CCNC(=O)CCCCCNC(C)=O
InChIInChI=1S/C13H26N2O3/c1-3-12(17)8-10-15-13(18)7-5-4-6-9-14-11(2)16/h12,17H,3-10H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyIXEJRFCOEXWROB-UHFFFAOYSA-N
XLogP0.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(16-hydroxyoctadecyl)decanamide
CID 90886549
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
6-acetamido-N-propylhexanamide
CID 60654879
5-acetamido-N-butylpentanamide
CID 123729472
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
5-acetamido-N-ethylpentanamide
CID 145189248
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
N-(4-acetamidobutyl)butanamide
CID 110417477
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(3-hydroxypentyl)hexanamide?
The IUPAC name of 6-acetamido-N-(3-hydroxypentyl)hexanamide (CID 115703434) is 6-acetamido-N-(3-hydroxypentyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(3-hydroxypentyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(3-hydroxypentyl)hexanamide is CCC(O)CCNC(=O)CCCCCNC(C)=O.
What is the InChIKey of 6-acetamido-N-(3-hydroxypentyl)hexanamide?
The InChIKey is IXEJRFCOEXWROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-12(17)8-10-15-13(18)7-5-4-6-9-14-11(2)16/h12,17H,3-10H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 6-acetamido-N-(3-hydroxypentyl)hexanamide?
6-acetamido-N-(3-hydroxypentyl)hexanamide has a molecular weight of 258.36 g/mol, XLogP of 0.96, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(3-hydroxypentyl)hexanamide is sourced from PubChem (CID 115703434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).