5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one

C26H28N2O2 — CID 167973863

IUPAC5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one
SMILESCCCC(Nc1ccc(C2CCC(=O)N2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-2-6-24(20-11-15-23(16-12-20)30-22-7-4-3-5-8-22)27-21-13-9-19(10-14-21)25-17-18-26(29)28-25/h3-5,7-16,24-25,27H,2,6,17-18H2,1H3,(H,28,29)
InChIKeyJLEUYWPAWJBDKI-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.38
Rot. Bonds8

About 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one

5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one (PubChem CID 167973863) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one
PubChem CID167973863
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one
SMILESCCCC(Nc1ccc(C2CCC(=O)N2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-2-6-24(20-11-15-23(16-12-20)30-22-7-4-3-5-8-22)27-21-13-9-19(10-14-21)25-17-18-26(29)28-25/h3-5,7-16,24-25,27H,2,6,17-18H2,1H3,(H,28,29)
InChIKeyJLEUYWPAWJBDKI-UHFFFAOYSA-N
XLogP6.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one (CID 167973863) is 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one is CCCC(Nc1ccc(C2CCC(=O)N2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one?
The InChIKey is JLEUYWPAWJBDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-2-6-24(20-11-15-23(16-12-20)30-22-7-4-3-5-8-22)27-21-13-9-19(10-14-21)25-17-18-26(29)28-25/h3-5,7-16,24-25,27H,2,6,17-18H2,1H3,(H,28,29).
What are the key properties of 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one?
5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one has a molecular weight of 400.52 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167973863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).