2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide

C22H23N3O4 — CID 24784519

IUPAC2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccc(N2C(=O)c3ccc(C(=O)NCCN4CCOCC4)cc3C2=O)c1
InChIInChI=1S/C22H23N3O4/c1-15-3-2-4-17(13-15)25-21(27)18-6-5-16(14-19(18)22(25)28)20(26)23-7-8-24-9-11-29-12-10-24/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyXNVZUHKFXPLFSP-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.86
Rot. Bonds5

About 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 24784519) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID24784519
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccc(N2C(=O)c3ccc(C(=O)NCCN4CCOCC4)cc3C2=O)c1
InChIInChI=1S/C22H23N3O4/c1-15-3-2-4-17(13-15)25-21(27)18-6-5-16(14-19(18)22(25)28)20(26)23-7-8-24-9-11-29-12-10-24/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyXNVZUHKFXPLFSP-UHFFFAOYSA-N
XLogP1.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 69279118
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 17361193
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24786050
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide (CID 24784519) is 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide is Cc1cccc(N2C(=O)c3ccc(C(=O)NCCN4CCOCC4)cc3C2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XNVZUHKFXPLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-3-2-4-17(13-15)25-21(27)18-6-5-16(14-19(18)22(25)28)20(26)23-7-8-24-9-11-29-12-10-24/h2-6,13-14H,7-12H2,1H3,(H,23,26).
What are the key properties of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 24784519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).