4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione

C20H20N2O3 — CID 23200080

IUPAC4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CC3CN(Cc4ccccc4)CCO3)cccc21
InChIInChI=1S/C20H20N2O3/c23-19-17-8-4-7-15(18(17)20(24)21-19)11-16-13-22(9-10-25-16)12-14-5-2-1-3-6-14/h1-8,16H,9-13H2,(H,21,23,24)
InChIKeyLZLDHVLYKYIYLV-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.01
Rot. Bonds4

About 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione

4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 23200080) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
PubChem CID23200080
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CC3CN(Cc4ccccc4)CCO3)cccc21
InChIInChI=1S/C20H20N2O3/c23-19-17-8-4-7-15(18(17)20(24)21-19)11-16-13-22(9-10-25-16)12-14-5-2-1-3-6-14/h1-8,16H,9-13H2,(H,21,23,24)
InChIKeyLZLDHVLYKYIYLV-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione
CID 91150178
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
CID 18933330
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid
CID 95553756

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione (CID 23200080) is 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione is O=C1NC(=O)c2c(CC3CN(Cc4ccccc4)CCO3)cccc21.
What is the InChIKey of 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is LZLDHVLYKYIYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19-17-8-4-7-15(18(17)20(24)21-19)11-16-13-22(9-10-25-16)12-14-5-2-1-3-6-14/h1-8,16H,9-13H2,(H,21,23,24).
What are the key properties of 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione?
4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 336.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 23200080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).