4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide

C20H20N2O3 — CID 32677765

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-13(2)11-21-18(23)15-9-7-14(8-10-15)12-22-19(24)16-5-3-4-6-17(16)20(22)25/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyWTDNPELKIYXGOI-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.87
Rot. Bonds5

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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 32677765) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID32677765
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-13(2)11-21-18(23)15-9-7-14(8-10-15)12-22-19(24)16-5-3-4-6-17(16)20(22)25/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyWTDNPELKIYXGOI-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(furan-3-ylmethyl)benzamide
CID 55838537
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide (CID 32677765) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is WTDNPELKIYXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(2)11-21-18(23)15-9-7-14(8-10-15)12-22-19(24)16-5-3-4-6-17(16)20(22)25/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 32677765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).