N-(azepan-4-yl)dodecanamide

C18H36N2O — CID 105060891

IUPACN-(azepan-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCCNCC1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-13-18(21)20-17-12-11-15-19-16-14-17/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyMUCRDGCLJPCGHB-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.17
Rot. Bonds11

About N-(azepan-4-yl)dodecanamide

N-(azepan-4-yl)dodecanamide (PubChem CID 105060891) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(azepan-4-yl)dodecanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)dodecanamide
PubChem CID105060891
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(azepan-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCCNCC1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-13-18(21)20-17-12-11-15-19-16-14-17/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyMUCRDGCLJPCGHB-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(azepan-4-yl)dodecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)dodecanamide?
The IUPAC name of N-(azepan-4-yl)dodecanamide (CID 105060891) is N-(azepan-4-yl)dodecanamide.
What is the SMILES notation for N-(azepan-4-yl)dodecanamide?
The canonical SMILES for N-(azepan-4-yl)dodecanamide is CCCCCCCCCCCC(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)dodecanamide?
The InChIKey is MUCRDGCLJPCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-13-18(21)20-17-12-11-15-19-16-14-17/h17,19H,2-16H2,1H3,(H,20,21).
What are the key properties of N-(azepan-4-yl)dodecanamide?
N-(azepan-4-yl)dodecanamide has a molecular weight of 296.50 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)dodecanamide is sourced from PubChem (CID 105060891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).