1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one

C19H22N2O2 — CID 56549437

IUPAC1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-20(14-15-21-13-7-12-19(21)22)17-10-5-6-11-18(17)23-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3
InChIKeyYJBSDTFLRCJGAF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one

1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one (PubChem CID 56549437) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one
PubChem CID56549437
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-20(14-15-21-13-7-12-19(21)22)17-10-5-6-11-18(17)23-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3
InChIKeyYJBSDTFLRCJGAF-UHFFFAOYSA-N
XLogP3.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one (CID 56549437) is 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one is CN(CCN1CCCC1=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one?
The InChIKey is YJBSDTFLRCJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20(14-15-21-13-7-12-19(21)22)17-10-5-6-11-18(17)23-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3.
What are the key properties of 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one?
1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56549437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).