N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide

C14H15N3O4 — CID 24664341

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)N3CCOCC3)cc2C1=O
InChIInChI=1S/C14H15N3O4/c1-16-12(18)10-3-2-9(8-11(10)13(16)19)15-14(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,20)
InChIKeyXBPAGMZIPDUTQF-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.78
Rot. Bonds1

About N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide (PubChem CID 24664341) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
PubChem CID24664341
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)N3CCOCC3)cc2C1=O
InChIInChI=1S/C14H15N3O4/c1-16-12(18)10-3-2-9(8-11(10)13(16)19)15-14(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,20)
InChIKeyXBPAGMZIPDUTQF-UHFFFAOYSA-N
XLogP0.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.78
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

N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 108873966
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 25348923
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
CID 69182135
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide (CID 24664341) is N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide is CN1C(=O)c2ccc(NC(=O)N3CCOCC3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
The InChIKey is XBPAGMZIPDUTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-12(18)10-3-2-9(8-11(10)13(16)19)15-14(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,20).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 24664341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).