tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate

C18H24N2O6 — CID 143842136

IUPACtert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CON2C(=O)C3=C(CCC=C3)C2=O)C1
InChIInChI=1S/C18H24N2O6/c1-18(2,3)26-17(23)19-8-9-24-12(10-19)11-25-20-15(21)13-6-4-5-7-14(13)16(20)22/h4,6,12H,5,7-11H2,1-3H3
InChIKeyCSLOWQPTEKIVSZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate

tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate (PubChem CID 143842136) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate
PubChem CID143842136
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Nametert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CON2C(=O)C3=C(CCC=C3)C2=O)C1
InChIInChI=1S/C18H24N2O6/c1-18(2,3)26-17(23)19-8-9-24-12(10-19)11-25-20-15(21)13-6-4-5-7-14(13)16(20)22/h4,6,12H,5,7-11H2,1-3H3
InChIKeyCSLOWQPTEKIVSZ-UHFFFAOYSA-N
XLogP1.57
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(4-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567737
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930
tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane
CID 171811078
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate (CID 143842136) is tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CON2C(=O)C3=C(CCC=C3)C2=O)C1.
What is the InChIKey of tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate?
The InChIKey is CSLOWQPTEKIVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-18(2,3)26-17(23)19-8-9-24-12(10-19)11-25-20-15(21)13-6-4-5-7-14(13)16(20)22/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate?
tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 143842136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).