2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide

C13H25N3O3 — CID 51102033

IUPAC2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)CC(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O3/c1-19-9-8-15(10-12(14)17)11-13(18)16-6-4-2-3-5-7-16/h2-11H2,1H3,(H2,14,17)
InChIKeyNQBLQBGYNGWEAW-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.18
Rot. Bonds7

About 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide

2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide (PubChem CID 51102033) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
PubChem CID51102033
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)CC(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O3/c1-19-9-8-15(10-12(14)17)11-13(18)16-6-4-2-3-5-7-16/h2-11H2,1H3,(H2,14,17)
InChIKeyNQBLQBGYNGWEAW-UHFFFAOYSA-N
XLogP-0.18
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide (CID 51102033) is 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)CC(=O)N1CCCCCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide?
The InChIKey is NQBLQBGYNGWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-19-9-8-15(10-12(14)17)11-13(18)16-6-4-2-3-5-7-16/h2-11H2,1H3,(H2,14,17).
What are the key properties of 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide?
2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide has a molecular weight of 271.36 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 51102033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).