6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide

C20H40N2O3 — CID 170966383

IUPAC6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
SMILESCCCCCC(=O)NCCCCCC(=O)NCCCCCCCOC
InChIInChI=1S/C20H40N2O3/c1-3-4-9-14-19(23)22-17-12-8-10-15-20(24)21-16-11-6-5-7-13-18-25-2/h3-18H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVLZGGWSZYVZOEL-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.96
Rot. Bonds18

About 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide

6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide (PubChem CID 170966383) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide.

Molecular Properties

Compound Name6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
PubChem CID170966383
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Name6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
SMILESCCCCCC(=O)NCCCCCC(=O)NCCCCCCCOC
InChIInChI=1S/C20H40N2O3/c1-3-4-9-14-19(23)22-17-12-8-10-15-20(24)21-16-11-6-5-7-13-18-25-2/h3-18H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVLZGGWSZYVZOEL-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide?
The IUPAC name of 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide (CID 170966383) is 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide.
What is the SMILES notation for 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide?
The canonical SMILES for 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide is CCCCCC(=O)NCCCCCC(=O)NCCCCCCCOC.
What is the InChIKey of 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide?
The InChIKey is VLZGGWSZYVZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-3-4-9-14-19(23)22-17-12-8-10-15-20(24)21-16-11-6-5-7-13-18-25-2/h3-18H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide?
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide has a molecular weight of 356.55 g/mol, XLogP of 3.96, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide is sourced from PubChem (CID 170966383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).