2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C13H24N2O2 — CID 1439051

IUPAC2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCCCCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O2/c16-13(14-10-12-6-5-9-17-12)11-15-7-3-1-2-4-8-15/h12H,1-11H2,(H,14,16)/t12-/m0/s1
InChIKeyNCOSXFCLEZAKOB-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 1439051) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID1439051
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCCCCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O2/c16-13(14-10-12-6-5-9-17-12)11-15-7-3-1-2-4-8-15/h12H,1-11H2,(H,14,16)/t12-/m0/s1
InChIKeyNCOSXFCLEZAKOB-LBPRGKRZSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
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-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 1439051) is 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1CCCCCC1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NCOSXFCLEZAKOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(14-10-12-6-5-9-17-12)11-15-7-3-1-2-4-8-15/h12H,1-11H2,(H,14,16)/t12-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.16, 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-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1439051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).