5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione

C22H22N2O4 — CID 51293162

IUPAC5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
SMILESCC1CN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCO1
InChIInChI=1S/C22H22N2O4/c1-15-14-23(11-12-28-15)20(25)17-7-8-18-19(13-17)22(27)24(21(18)26)10-9-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyOHFCFLWLMGNZMS-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.39
Rot. Bonds4

About 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione

5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione (PubChem CID 51293162) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
PubChem CID51293162
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
SMILESCC1CN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCO1
InChIInChI=1S/C22H22N2O4/c1-15-14-23(11-12-28-15)20(25)17-7-8-18-19(13-17)22(27)24(21(18)26)10-9-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyOHFCFLWLMGNZMS-UHFFFAOYSA-N
XLogP2.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.39
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

5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 78802542
5-[2-[1-(2-bromo-3-methylphenyl)triazol-4-yl]morpholine-4-carbonyl]-2-(2-phenylethyl)isoindole-1,3-dione
CID 167811272
N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide
CID 41305590
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 43010471
5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-phenylethyl)isoindole-1,3-dione
CID 172640834
(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647307
2-benzyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione;hydrochloride
CID 119538971
2-[2-(cyclohexen-1-yl)ethyl]-5-(3-methylpiperidine-1-carbonyl)isoindole-1,3-dione
CID 3589270
propan-2-yl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 27000100
2-oxopropyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 2484796

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The IUPAC name of 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione (CID 51293162) is 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione is CC1CN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCO1.
What is the InChIKey of 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The InChIKey is OHFCFLWLMGNZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-14-23(11-12-28-15)20(25)17-7-8-18-19(13-17)22(27)24(21(18)26)10-9-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione has a molecular weight of 378.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione is sourced from PubChem (CID 51293162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).