2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide

C11H21N3O2 — CID 79473506

IUPAC2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CCC#N)C(=O)COCCN
InChIInChI=1S/C11H21N3O2/c1-10(2)8-14(6-3-4-12)11(15)9-16-7-5-13/h10H,3,5-9,13H2,1-2H3
InChIKeyQBOYASYWDORHEO-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.36
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide

2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide (PubChem CID 79473506) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide
PubChem CID79473506
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CCC#N)C(=O)COCCN
InChIInChI=1S/C11H21N3O2/c1-10(2)8-14(6-3-4-12)11(15)9-16-7-5-13/h10H,3,5-9,13H2,1-2H3
InChIKeyQBOYASYWDORHEO-UHFFFAOYSA-N
XLogP0.36
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
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-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide (CID 79473506) is 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide is CC(C)CN(CCC#N)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is QBOYASYWDORHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2)8-14(6-3-4-12)11(15)9-16-7-5-13/h10H,3,5-9,13H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide?
2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 227.31 g/mol, XLogP of 0.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79473506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).