5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide

C20H20N2O4 — CID 27647987

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC(C)C)c1O
InChIInChI=1S/C20H20N2O4/c1-11(2)21-18(24)16-9-13(8-12(3)17(16)23)10-22-19(25)14-6-4-5-7-15(14)20(22)26/h4-9,11,23H,10H2,1-3H3,(H,21,24)
InChIKeyNAVHKDJZMYITFG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.64
Rot. Bonds4

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide (PubChem CID 27647987) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
PubChem CID27647987
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC(C)C)c1O
InChIInChI=1S/C20H20N2O4/c1-11(2)21-18(24)16-9-13(8-12(3)17(16)23)10-22-19(25)14-6-4-5-7-15(14)20(22)26/h4-9,11,23H,10H2,1-3H3,(H,21,24)
InChIKeyNAVHKDJZMYITFG-UHFFFAOYSA-N
XLogP2.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methylbenzoate
CID 7993739
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767
2-[(3,4,5-trihydroxyphenyl)methyl]isoindole-1,3-dione
CID 91971420
2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione
CID 166253942
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
CID 26253288
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 22985467

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide (CID 27647987) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide is Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC(C)C)c1O.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is NAVHKDJZMYITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-11(2)21-18(24)16-9-13(8-12(3)17(16)23)10-22-19(25)14-6-4-5-7-15(14)20(22)26/h4-9,11,23H,10H2,1-3H3,(H,21,24).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 27647987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).