2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide

C13H26N2O2 — CID 175626327

IUPAC2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCCOCC[C@H]1CCN(CC(=O)NC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-4-17-8-6-12-5-7-15(9-12)10-13(16)14-11(2)3/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1
InChIKeyMRXSVHBMQXZKCI-GFCCVEGCSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds7

About 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide

2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 175626327) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID175626327
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCCOCC[C@H]1CCN(CC(=O)NC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-4-17-8-6-12-5-7-15(9-12)10-13(16)14-11(2)3/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1
InChIKeyMRXSVHBMQXZKCI-GFCCVEGCSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide (CID 175626327) is 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide is CCOCC[C@H]1CCN(CC(=O)NC(C)C)C1.
What is the InChIKey of 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MRXSVHBMQXZKCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-8-6-12-5-7-15(9-12)10-13(16)14-11(2)3/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 175626327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).