4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide

C25H21N3O5 — CID 38329840

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C25H21N3O5/c1-33-15-22(29)26-18-10-12-19(13-11-18)27-23(30)17-8-6-16(7-9-17)14-28-24(31)20-4-2-3-5-21(20)25(28)32/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyLRGGQMUCJOWLLH-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.32
Rot. Bonds7

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide (PubChem CID 38329840) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
PubChem CID38329840
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C25H21N3O5/c1-33-15-22(29)26-18-10-12-19(13-11-18)27-23(30)17-8-6-16(7-9-17)14-28-24(31)20-4-2-3-5-21(20)25(28)32/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyLRGGQMUCJOWLLH-UHFFFAOYSA-N
XLogP3.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55985027
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 31280759
2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
CID 17342168
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35165518
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
N-(2-chlorophenyl)-4-[(2-methoxyacetyl)amino]benzamide
CID 1228428
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46606388
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide (CID 38329840) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide is COCC(=O)Nc1ccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The InChIKey is LRGGQMUCJOWLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-33-15-22(29)26-18-10-12-19(13-11-18)27-23(30)17-8-6-16(7-9-17)14-28-24(31)20-4-2-3-5-21(20)25(28)32/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide has a molecular weight of 443.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 38329840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).