5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one

C23H30N2O2 — CID 45173022

IUPAC5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESO=C1CCC(CCNCCOc2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C23H30N2O2/c26-23-14-13-21(25(23)18-7-10-20-8-3-1-4-9-20)15-16-24-17-19-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,21,24H,7,10,13-19H2
InChIKeyMHHYMEOMVVNCIL-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.67
Rot. Bonds11

About 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one

5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 45173022) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID45173022
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESO=C1CCC(CCNCCOc2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C23H30N2O2/c26-23-14-13-21(25(23)18-7-10-20-8-3-1-4-9-20)15-16-24-17-19-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,21,24H,7,10,13-19H2
InChIKeyMHHYMEOMVVNCIL-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.67
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 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one (CID 45173022) is 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one is O=C1CCC(CCNCCOc2ccccc2)N1CCCc1ccccc1.
What is the InChIKey of 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is MHHYMEOMVVNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23-14-13-21(25(23)18-7-10-20-8-3-1-4-9-20)15-16-24-17-19-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,21,24H,7,10,13-19H2.
What are the key properties of 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one?
5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 366.50 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45173022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).