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

C23H30N2O3 — CID 45229970

IUPAC1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1CCN1C(=O)CCC1CCNCCOc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-27-22-10-6-5-7-19(22)14-17-25-20(11-12-23(25)26)13-15-24-16-18-28-21-8-3-2-4-9-21/h2-10,20,24H,11-18H2,1H3
InChIKeyYPLIHGQXXJYTFX-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.29
Rot. Bonds11

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

1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one (PubChem CID 45229970) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one
PubChem CID45229970
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1CCN1C(=O)CCC1CCNCCOc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-27-22-10-6-5-7-19(22)14-17-25-20(11-12-23(25)26)13-15-24-16-18-28-21-8-3-2-4-9-21/h2-10,20,24H,11-18H2,1H3
InChIKeyYPLIHGQXXJYTFX-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one (CID 45229970) is 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one is COc1ccccc1CCN1C(=O)CCC1CCNCCOc1ccccc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is YPLIHGQXXJYTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-22-10-6-5-7-19(22)14-17-25-20(11-12-23(25)26)13-15-24-16-18-28-21-8-3-2-4-9-21/h2-10,20,24H,11-18H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one?
1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 382.50 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(2-phenoxyethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45229970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).