2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide

C17H32N2O2 — CID 56791527

IUPAC2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide
SMILESCC(C)(C)C1CCCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)14-5-4-9-19(10-6-14)13-16(20)18-15-7-11-21-12-8-15/h14-15H,4-13H2,1-3H3,(H,18,20)
InChIKeyGMRHXYHCOLXCNK-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.43
Rot. Bonds3

About 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide

2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 56791527) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID56791527
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide
SMILESCC(C)(C)C1CCCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)14-5-4-9-19(10-6-14)13-16(20)18-15-7-11-21-12-8-15/h14-15H,4-13H2,1-3H3,(H,18,20)
InChIKeyGMRHXYHCOLXCNK-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide 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 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide (CID 56791527) is 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide is CC(C)(C)C1CCCN(CC(=O)NC2CCOCC2)CC1.
What is the InChIKey of 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is GMRHXYHCOLXCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)14-5-4-9-19(10-6-14)13-16(20)18-15-7-11-21-12-8-15/h14-15H,4-13H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide?
2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 56791527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).