3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one

C26H39N3O3 — CID 135337943

IUPAC3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CC3CN(c4ccccc4N4CCOCC4)CC3C2)OC1=O
InChIInChI=1S/C26H39N3O3/c1-3-26(4-2)15-22(32-25(26)30)9-10-27-16-20-18-29(19-21(20)17-27)24-8-6-5-7-23(24)28-11-13-31-14-12-28/h5-8,20-22H,3-4,9-19H2,1-2H3
InChIKeyADIKNEHLEGRBEL-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.40
Rot. Bonds7

About 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one

3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one (PubChem CID 135337943) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one
PubChem CID135337943
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CC3CN(c4ccccc4N4CCOCC4)CC3C2)OC1=O
InChIInChI=1S/C26H39N3O3/c1-3-26(4-2)15-22(32-25(26)30)9-10-27-16-20-18-29(19-21(20)17-27)24-8-6-5-7-23(24)28-11-13-31-14-12-28/h5-8,20-22H,3-4,9-19H2,1-2H3
InChIKeyADIKNEHLEGRBEL-UHFFFAOYSA-N
XLogP3.40
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-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 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one (CID 135337943) is 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one is CCC1(CC)CC(CCN2CC3CN(c4ccccc4N4CCOCC4)CC3C2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one?
The InChIKey is ADIKNEHLEGRBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-3-26(4-2)15-22(32-25(26)30)9-10-27-16-20-18-29(19-21(20)17-27)24-8-6-5-7-23(24)28-11-13-31-14-12-28/h5-8,20-22H,3-4,9-19H2,1-2H3.
What are the key properties of 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one?
3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one has a molecular weight of 441.62 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[2-[5-(2-morpholin-4-ylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]oxolan-2-one is sourced from PubChem (CID 135337943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).