6-acetamido-N-(4-hydroxypentyl)hexanamide

C13H26N2O3 — CID 107300079

IUPAC6-acetamido-N-(4-hydroxypentyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCCCC(C)O
InChIInChI=1S/C13H26N2O3/c1-11(16)7-6-10-15-13(18)8-4-3-5-9-14-12(2)17/h11,16H,3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFGXOFNHEWRKVPF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.96
Rot. Bonds10

About 6-acetamido-N-(4-hydroxypentyl)hexanamide

6-acetamido-N-(4-hydroxypentyl)hexanamide (PubChem CID 107300079) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-acetamido-N-(4-hydroxypentyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(4-hydroxypentyl)hexanamide
PubChem CID107300079
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-acetamido-N-(4-hydroxypentyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCCCC(C)O
InChIInChI=1S/C13H26N2O3/c1-11(16)7-6-10-15-13(18)8-4-3-5-9-14-12(2)17/h11,16H,3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFGXOFNHEWRKVPF-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

5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
6-acetamido-N-(3-hydroxypentyl)hexanamide
CID 115703434
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
6-acetamido-N-propylhexanamide
CID 60654879
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
5-acetamido-N-butylpentanamide
CID 123729472
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
N-(6-hydroxyheptyl)propanamide
CID 91284740
5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
CID 82682930
N-(4-hydroxypentyl)propanamide
CID 107299540
5-acetamido-N-ethylpentanamide
CID 145189248

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(4-hydroxypentyl)hexanamide?
The IUPAC name of 6-acetamido-N-(4-hydroxypentyl)hexanamide (CID 107300079) is 6-acetamido-N-(4-hydroxypentyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(4-hydroxypentyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(4-hydroxypentyl)hexanamide is CC(=O)NCCCCCC(=O)NCCCC(C)O.
What is the InChIKey of 6-acetamido-N-(4-hydroxypentyl)hexanamide?
The InChIKey is FGXOFNHEWRKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(16)7-6-10-15-13(18)8-4-3-5-9-14-12(2)17/h11,16H,3-10H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 6-acetamido-N-(4-hydroxypentyl)hexanamide?
6-acetamido-N-(4-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-(4-hydroxypentyl)hexanamide is sourced from PubChem (CID 107300079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).