2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C13H24N4O3 — CID 61234625

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C13H24N4O3/c1-20-5-4-15-13(19)16-12(18)8-17-10-2-3-11(17)7-9(14)6-10/h9-11H,2-8,14H2,1H3,(H2,15,16,18,19)
InChIKeyZDWUUHBGQBNXCF-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.59
Rot. Bonds5

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 61234625) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID61234625
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C13H24N4O3/c1-20-5-4-15-13(19)16-12(18)8-17-10-2-3-11(17)7-9(14)6-10/h9-11H,2-8,14H2,1H3,(H2,15,16,18,19)
InChIKeyZDWUUHBGQBNXCF-UHFFFAOYSA-N
XLogP-0.59
TPSA96.69 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 ≤ 5-0.59
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-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
CID 61236323
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
CID 55236053
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
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
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 104565118
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 61234449
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 27096512
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
CID 61235181

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 61234625) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is ZDWUUHBGQBNXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-20-5-4-15-13(19)16-12(18)8-17-10-2-3-11(17)7-9(14)6-10/h9-11H,2-8,14H2,1H3,(H2,15,16,18,19).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 61234625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).