2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione

C23H24N2O4 — CID 110644164

IUPAC2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(Cc2ccccc2)O1
InChIInChI=1S/C23H24N2O4/c1-16-14-24(15-18(29-16)13-17-7-3-2-4-8-17)21(26)11-12-25-22(27)19-9-5-6-10-20(19)23(25)28/h2-10,16,18H,11-15H2,1H3
InChIKeyYTEONQQMKSEJKX-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.53
Rot. Bonds5

About 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione

2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 110644164) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID110644164
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(Cc2ccccc2)O1
InChIInChI=1S/C23H24N2O4/c1-16-14-24(15-18(29-16)13-17-7-3-2-4-8-17)21(26)11-12-25-22(27)19-9-5-6-10-20(19)23(25)28/h2-10,16,18H,11-15H2,1H3
InChIKeyYTEONQQMKSEJKX-UHFFFAOYSA-N
XLogP2.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 42901734
2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
CID 110746739
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
(3S,4S)-1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951279
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione (CID 110644164) is 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione is CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(Cc2ccccc2)O1.
What is the InChIKey of 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is YTEONQQMKSEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-14-24(15-18(29-16)13-17-7-3-2-4-8-17)21(26)11-12-25-22(27)19-9-5-6-10-20(19)23(25)28/h2-10,16,18H,11-15H2,1H3.
What are the key properties of 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 392.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 110644164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).