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

C26H32N2O4 — CID 73388006

IUPAC(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C26H32N2O4/c1-19-18-22(6-9-24(19)31-17-14-27-12-15-30-16-13-27)28-11-10-25(26(28)29)32-23-7-4-21(5-8-23)20-2-3-20/h4-9,18,20,25H,2-3,10-17H2,1H3/t25-/m0/s1
InChIKeyNTUVFUROUHJQAR-VWLOTQADSA-N
MW436.55 g/mol
LogP3.77
Rot. Bonds8

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

(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 73388006) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID73388006
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C26H32N2O4/c1-19-18-22(6-9-24(19)31-17-14-27-12-15-30-16-13-27)28-11-10-25(26(28)29)32-23-7-4-21(5-8-23)20-2-3-20/h4-9,18,20,25H,2-3,10-17H2,1H3/t25-/m0/s1
InChIKeyNTUVFUROUHJQAR-VWLOTQADSA-N
XLogP3.77
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one (CID 73388006) is (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one is Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1.
What is the InChIKey of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is NTUVFUROUHJQAR-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-19-18-22(6-9-24(19)31-17-14-27-12-15-30-16-13-27)28-11-10-25(26(28)29)32-23-7-4-21(5-8-23)20-2-3-20/h4-9,18,20,25H,2-3,10-17H2,1H3/t25-/m0/s1.
What are the key properties of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one?
(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 436.55 g/mol, XLogP of 3.77, 8 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-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 73388006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).