(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one

C23H30N2O — CID 125163192

IUPAC(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
SMILESCCNCC[C@@H]1CCC(=O)N1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-24-17-15-21-13-14-23(26)25(21)18-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,24H,2,13-18H2,1H3/t21-/m0/s1
InChIKeyVAAYFTLADCDPOR-NRFANRHFSA-N
MW350.51 g/mol
LogP4.20
Rot. Bonds9

About (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one

(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one (PubChem CID 125163192) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
PubChem CID125163192
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
SMILESCCNCC[C@@H]1CCC(=O)N1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-24-17-15-21-13-14-23(26)25(21)18-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,24H,2,13-18H2,1H3/t21-/m0/s1
InChIKeyVAAYFTLADCDPOR-NRFANRHFSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one (CID 125163192) is (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one is CCNCC[C@@H]1CCC(=O)N1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is VAAYFTLADCDPOR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-24-17-15-21-13-14-23(26)25(21)18-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,24H,2,13-18H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 350.51 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 125163192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).