(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one

C27H34N2O4 — CID 73388327

IUPAC(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C27H34N2O4/c1-2-20-19-23(7-10-25(20)32-18-15-28-13-16-31-17-14-28)29-12-11-26(27(29)30)33-24-8-5-22(6-9-24)21-3-4-21/h5-10,19,21,26H,2-4,11-18H2,1H3/t26-/m0/s1
InChIKeyXHQLNUPPWRNDMG-SANMLTNESA-N
MW450.58 g/mol
LogP4.02
Rot. Bonds9

About (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one

(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 73388327) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID73388327
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C27H34N2O4/c1-2-20-19-23(7-10-25(20)32-18-15-28-13-16-31-17-14-28)29-12-11-26(27(29)30)33-24-8-5-22(6-9-24)21-3-4-21/h5-10,19,21,26H,2-4,11-18H2,1H3/t26-/m0/s1
InChIKeyXHQLNUPPWRNDMG-SANMLTNESA-N
XLogP4.02
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]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 (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one (CID 73388327) is (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one is CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1.
What is the InChIKey of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is XHQLNUPPWRNDMG-SANMLTNESA-N. The full InChI is InChI=1S/C27H34N2O4/c1-2-20-19-23(7-10-25(20)32-18-15-28-13-16-31-17-14-28)29-12-11-26(27(29)30)33-24-8-5-22(6-9-24)21-3-4-21/h5-10,19,21,26H,2-4,11-18H2,1H3/t26-/m0/s1.
What are the key properties of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 450.58 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 73388327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).