2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C18H26N2O4 — CID 78777313

IUPAC2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESCC(C)CC(C(=O)N1CCOCC1)N1C(=O)C2CC=CCC2C1=O
InChIInChI=1S/C18H26N2O4/c1-12(2)11-15(18(23)19-7-9-24-10-8-19)20-16(21)13-5-3-4-6-14(13)17(20)22/h3-4,12-15H,5-11H2,1-2H3
InChIKeyYFQQMHWVTCIUNH-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds4

About 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (PubChem CID 78777313) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
PubChem CID78777313
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESCC(C)CC(C(=O)N1CCOCC1)N1C(=O)C2CC=CCC2C1=O
InChIInChI=1S/C18H26N2O4/c1-12(2)11-15(18(23)19-7-9-24-10-8-19)20-16(21)13-5-3-4-6-14(13)17(20)22/h3-4,12-15H,5-11H2,1-2H3
InChIKeyYFQQMHWVTCIUNH-UHFFFAOYSA-N
XLogP1.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CID 78777313) is 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is CC(C)CC(C(=O)N1CCOCC1)N1C(=O)C2CC=CCC2C1=O.
What is the InChIKey of 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is YFQQMHWVTCIUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)11-15(18(23)19-7-9-24-10-8-19)20-16(21)13-5-3-4-6-14(13)17(20)22/h3-4,12-15H,5-11H2,1-2H3.
What are the key properties of 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 334.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 78777313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).