2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C14H28N2O2 — CID 111663081

IUPAC2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(C)(C)O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(16-9-7-5-6-8-10-16)13(17)15(4)11-14(2,3)18/h12,18H,5-11H2,1-4H3
InChIKeyLFOFJVKNZBJDGL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.48
Rot. Bonds4

About 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 111663081) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID111663081
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(C)(C)O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(16-9-7-5-6-8-10-16)13(17)15(4)11-14(2,3)18/h12,18H,5-11H2,1-4H3
InChIKeyLFOFJVKNZBJDGL-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 111663081) is 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CC(C(=O)N(C)CC(C)(C)O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is LFOFJVKNZBJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(16-9-7-5-6-8-10-16)13(17)15(4)11-14(2,3)18/h12,18H,5-11H2,1-4H3.
What are the key properties of 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 111663081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).