2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide

C11H20N2O4 — CID 103614914

IUPAC2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
SMILESCOCCOCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H20N2O4/c1-16-6-7-17-8-10(14)13-9-4-2-3-5-12-11(9)15/h9H,2-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyMNARUCPETHFLRA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.57
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide

2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 103614914) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID103614914
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
SMILESCOCCOCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H20N2O4/c1-16-6-7-17-8-10(14)13-9-4-2-3-5-12-11(9)15/h9H,2-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyMNARUCPETHFLRA-UHFFFAOYSA-N
XLogP-0.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide (CID 103614914) is 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide is COCCOCC(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is MNARUCPETHFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-6-7-17-8-10(14)13-9-4-2-3-5-12-11(9)15/h9H,2-8H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide?
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 103614914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).