2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide

C10H20N2O3 — CID 63298890

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC(O)C1CC1
InChIInChI=1S/C10H20N2O3/c1-15-5-4-12-10(14)7-11-6-9(13)8-2-3-8/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyFJSJTWGFEJALJM-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.89
Rot. Bonds8

About 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide

2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 63298890) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID63298890
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC(O)C1CC1
InChIInChI=1S/C10H20N2O3/c1-15-5-4-12-10(14)7-11-6-9(13)8-2-3-8/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyFJSJTWGFEJALJM-UHFFFAOYSA-N
XLogP-0.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
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-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide (CID 63298890) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is FJSJTWGFEJALJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-5-4-12-10(14)7-11-6-9(13)8-2-3-8/h8-9,11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 216.28 g/mol, XLogP of -0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63298890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).