N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide

C15H20N2O3 — CID 154863408

IUPACN-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(NOC1CCOC1)C1CCCN1c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-15(16-20-13-8-10-19-11-13)14-7-4-9-17(14)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)
InChIKeyLHULJVRIXDJGON-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.49
Rot. Bonds4

About N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide

N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide (PubChem CID 154863408) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide
PubChem CID154863408
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(NOC1CCOC1)C1CCCN1c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-15(16-20-13-8-10-19-11-13)14-7-4-9-17(14)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)
InChIKeyLHULJVRIXDJGON-UHFFFAOYSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide (CID 154863408) is N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide is O=C(NOC1CCOC1)C1CCCN1c1ccccc1.
What is the InChIKey of N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is LHULJVRIXDJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(16-20-13-8-10-19-11-13)14-7-4-9-17(14)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,16,18).
What are the key properties of N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide?
N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154863408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).