2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C21H21N3O4 — CID 2738655

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O4/c25-19(14-24-20(26)17-3-1-2-4-18(17)21(24)27)22-13-15-5-7-16(8-6-15)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,22,25)
InChIKeyQFXGJUVCOUYRGA-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.44
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 2738655) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID2738655
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O4/c25-19(14-24-20(26)17-3-1-2-4-18(17)21(24)27)22-13-15-5-7-16(8-6-15)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,22,25)
InChIKeyQFXGJUVCOUYRGA-UHFFFAOYSA-N
XLogP1.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
CID 5278690
SF-51
CID 1219451
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
ST50052723
CID 721301
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
2-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11257357
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
4-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}butanamide
CID 11338625
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11439016
N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpholin-4-yl)benzamide
CID 11501571

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 2738655) is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is QFXGJUVCOUYRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-19(14-24-20(26)17-3-1-2-4-18(17)21(24)27)22-13-15-5-7-16(8-6-15)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 2738655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).