4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one

C27H32N2O4 — CID 118284335

IUPAC4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one
SMILESCCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1
InChIInChI=1S/C27H32N2O4/c1-2-19-17-22(7-10-25(19)32-16-15-28-13-11-23(30)18-28)29-14-12-26(27(29)31)33-24-8-5-21(6-9-24)20-3-4-20/h5-10,12,17,20,23,30H,2-4,11,13-16,18H2,1H3/t23-/m1/s1
InChIKeyKBVHNWXTQURUQB-HSZRJFAPSA-N
MW448.56 g/mol
LogP3.88
Rot. Bonds9

About 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one (PubChem CID 118284335) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one
PubChem CID118284335
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one
SMILESCCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1
InChIInChI=1S/C27H32N2O4/c1-2-19-17-22(7-10-25(19)32-16-15-28-13-11-23(30)18-28)29-14-12-26(27(29)31)33-24-8-5-21(6-9-24)20-3-4-20/h5-10,12,17,20,23,30H,2-4,11,13-16,18H2,1H3/t23-/m1/s1
InChIKeyKBVHNWXTQURUQB-HSZRJFAPSA-N
XLogP3.88
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-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 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one (CID 118284335) is 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one is CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one?
The InChIKey is KBVHNWXTQURUQB-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-2-19-17-22(7-10-25(19)32-16-15-28-13-11-23(30)18-28)29-14-12-26(27(29)31)33-24-8-5-21(6-9-24)20-3-4-20/h5-10,12,17,20,23,30H,2-4,11,13-16,18H2,1H3/t23-/m1/s1.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one has a molecular weight of 448.56 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).