2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C13H24N4O3 — CID 81491193

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C13H24N4O3/c1-20-7-5-14-13(19)16-12(18)9-17-6-4-10-2-3-11(8-17)15-10/h10-11,15H,2-9H2,1H3,(H2,14,16,18,19)
InChIKeyAESDDUCRFVWARW-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.72
Rot. Bonds5

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 81491193) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID81491193
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C13H24N4O3/c1-20-7-5-14-13(19)16-12(18)9-17-6-4-10-2-3-11(8-17)15-10/h10-11,15H,2-9H2,1H3,(H2,14,16,18,19)
InChIKeyAESDDUCRFVWARW-UHFFFAOYSA-N
XLogP-0.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 119927408
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 114681481
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 112628478
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119927689
3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490697
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide
CID 115314363
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
CID 81491039
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 81491193) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCC2CCC(C1)N2.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is AESDDUCRFVWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-20-7-5-14-13(19)16-12(18)9-17-6-4-10-2-3-11(8-17)15-10/h10-11,15H,2-9H2,1H3,(H2,14,16,18,19).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 81491193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).