N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide

C13H24N2O2 — CID 125444775

IUPACN-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCC[C@H]1CCCOC1
InChIInChI=1S/C13H24N2O2/c16-13(10-15-7-1-2-8-15)14-6-5-12-4-3-9-17-11-12/h12H,1-11H2,(H,14,16)/t12-/m1/s1
InChIKeyLHJIRCUTTMQVIE-GFCCVEGCSA-N
MW240.35 g/mol
LogP1.02
Rot. Bonds5

About N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide

N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 125444775) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID125444775
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCC[C@H]1CCCOC1
InChIInChI=1S/C13H24N2O2/c16-13(10-15-7-1-2-8-15)14-6-5-12-4-3-9-17-11-12/h12H,1-11H2,(H,14,16)/t12-/m1/s1
InChIKeyLHJIRCUTTMQVIE-GFCCVEGCSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide (CID 125444775) is N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NCC[C@H]1CCCOC1.
What is the InChIKey of N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is LHJIRCUTTMQVIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(10-15-7-1-2-8-15)14-6-5-12-4-3-9-17-11-12/h12H,1-11H2,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 125444775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).