2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione

C24H35N3O4 — CID 88981719

IUPAC2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione
SMILESCCCON1C(C)(C)C2C(C1(C)C)C2(N1CCOCC1)N1C(=O)C2=CC=CCC2C1=O
InChIInChI=1S/C24H35N3O4/c1-6-13-31-27-22(2,3)18-19(23(27,4)5)24(18,25-11-14-30-15-12-25)26-20(28)16-9-7-8-10-17(16)21(26)29/h7-9,17-19H,6,10-15H2,1-5H3
InChIKeyGVVGBZIRNINXAV-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.35
Rot. Bonds5

About 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione

2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione (PubChem CID 88981719) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione
PubChem CID88981719
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione
SMILESCCCON1C(C)(C)C2C(C1(C)C)C2(N1CCOCC1)N1C(=O)C2=CC=CCC2C1=O
InChIInChI=1S/C24H35N3O4/c1-6-13-31-27-22(2,3)18-19(23(27,4)5)24(18,25-11-14-30-15-12-25)26-20(28)16-9-7-8-10-17(16)21(26)29/h7-9,17-19H,6,10-15H2,1-5H3
InChIKeyGVVGBZIRNINXAV-UHFFFAOYSA-N
XLogP2.35
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione (CID 88981719) is 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione is CCCON1C(C)(C)C2C(C1(C)C)C2(N1CCOCC1)N1C(=O)C2=CC=CCC2C1=O.
What is the InChIKey of 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione?
The InChIKey is GVVGBZIRNINXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-6-13-31-27-22(2,3)18-19(23(27,4)5)24(18,25-11-14-30-15-12-25)26-20(28)16-9-7-8-10-17(16)21(26)29/h7-9,17-19H,6,10-15H2,1-5H3.
What are the key properties of 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione?
2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione has a molecular weight of 429.56 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,4-tetramethyl-6-morpholin-4-yl-3-propoxy-3-azabicyclo[3.1.0]hexan-6-yl)-3a,4-dihydroisoindole-1,3-dione is sourced from PubChem (CID 88981719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).