4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one

C25H28N2O4 — CID 118284420

IUPAC4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1
InChIInChI=1S/C25H28N2O4/c1-29-24-16-21(7-4-20(24)17-26-12-14-30-15-13-26)27-11-10-23(25(27)28)31-22-8-5-19(6-9-22)18-2-3-18/h4-10,16,18H,2-3,11-15,17H2,1H3
InChIKeyICAUMIFXLZXAGZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.71
Rot. Bonds7

About 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 118284420) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one
PubChem CID118284420
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1
InChIInChI=1S/C25H28N2O4/c1-29-24-16-21(7-4-20(24)17-26-12-14-30-15-13-26)27-11-10-23(25(27)28)31-22-8-5-19(6-9-22)18-2-3-18/h4-10,16,18H,2-3,11-15,17H2,1H3
InChIKeyICAUMIFXLZXAGZ-UHFFFAOYSA-N
XLogP3.71
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)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-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one (CID 118284420) is 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one is COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is ICAUMIFXLZXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-24-16-21(7-4-20(24)17-26-12-14-30-15-13-26)27-11-10-23(25(27)28)31-22-8-5-19(6-9-22)18-2-3-18/h4-10,16,18H,2-3,11-15,17H2,1H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 420.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).