5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione

C15H18N2O3 — CID 115972133

IUPAC5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NC3CC(O)C3(C)C)cc2C1=O
InChIInChI=1S/C15H18N2O3/c1-15(2)11(7-12(15)18)16-8-4-5-9-10(6-8)14(20)17(3)13(9)19/h4-6,11-12,16,18H,7H2,1-3H3
InChIKeyMIRDHCIUPJANAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds2

About 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione

5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione (PubChem CID 115972133) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
PubChem CID115972133
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NC3CC(O)C3(C)C)cc2C1=O
InChIInChI=1S/C15H18N2O3/c1-15(2)11(7-12(15)18)16-8-4-5-9-10(6-8)14(20)17(3)13(9)19/h4-6,11-12,16,18H,7H2,1-3H3
InChIKeyMIRDHCIUPJANAN-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
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

N-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-phenylacetamide
CID 973563
5-(Diethylamino)-2-methylisoindole-1,3-dione
CID 665052
N-(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide
CID 1262881
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide
CID 2227998
(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide
CID 45267008
N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide
CID 959081
3-{1,3-dioxo-5-[(3-phenylpropanoyl)amino]-1,3-dihydro-2H-isoindol-2-yl}propanoic acid
CID 1307951
N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide
CID 6460635
3-[5-(2-Methylpropanoylamino)-1,3-dioxoisoindol-2-yl]propanoic acid
CID 803966
N-[4-[[(2S)-1-hydroxypentan-2-yl]carbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510197
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylamino)benzamide
CID 76902035
N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 876013

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione (CID 115972133) is 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(NC3CC(O)C3(C)C)cc2C1=O.
What is the InChIKey of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione?
The InChIKey is MIRDHCIUPJANAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)11(7-12(15)18)16-8-4-5-9-10(6-8)14(20)17(3)13(9)19/h4-6,11-12,16,18H,7H2,1-3H3.
What are the key properties of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione?
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 115972133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).