2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide

C12H24N2O2 — CID 61061665

IUPAC2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCCOCC(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-16-10-12(15)13-8-11(2)9-14-6-4-5-7-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyISAMNMBIAZVLQK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds7

About 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide

2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 61061665) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID61061665
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCCOCC(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-16-10-12(15)13-8-11(2)9-14-6-4-5-7-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyISAMNMBIAZVLQK-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide (CID 61061665) is 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide is CCOCC(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is ISAMNMBIAZVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-16-10-12(15)13-8-11(2)9-14-6-4-5-7-14/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 61061665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).