2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide

C11H20N2O4 — CID 75367815

IUPAC2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide
SMILESCC(=O)N1CCOC[C@H](OCC(=O)N(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-9(14)13-4-5-16-7-10(6-13)17-8-11(15)12(2)3/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyXRBYIZNZYJURCB-SNVBAGLBSA-N
MW244.29 g/mol
LogP-0.66
Rot. Bonds3

About 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide

2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide (PubChem CID 75367815) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide
PubChem CID75367815
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide
SMILESCC(=O)N1CCOC[C@H](OCC(=O)N(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-9(14)13-4-5-16-7-10(6-13)17-8-11(15)12(2)3/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyXRBYIZNZYJURCB-SNVBAGLBSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide (CID 75367815) is 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide is CC(=O)N1CCOC[C@H](OCC(=O)N(C)C)C1.
What is the InChIKey of 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is XRBYIZNZYJURCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(14)13-4-5-16-7-10(6-13)17-8-11(15)12(2)3/h10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide?
2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 244.29 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-4-acetyl-1,4-oxazepan-6-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 75367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).