N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide

C20H20N2O3 — CID 973563

IUPACN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2C1=O
InChIInChI=1S/C20H20N2O3/c1-13(2)12-22-19(24)16-9-8-15(11-17(16)20(22)25)21-18(23)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)
InChIKeyNAOZACIAFFAZNS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide

N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide (PubChem CID 973563) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide
PubChem CID973563
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2C1=O
InChIInChI=1S/C20H20N2O3/c1-13(2)12-22-19(24)16-9-8-15(11-17(16)20(22)25)21-18(23)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)
InChIKeyNAOZACIAFFAZNS-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
N-Phenylphthalimide
CID 68215
4,5-Dianilinophthalimide
CID 1697
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
4-Aminophthalimide
CID 72915
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
SK-7068
CID 9799221
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide (CID 973563) is N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide is CC(C)CN1C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2C1=O.
What is the InChIKey of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide?
The InChIKey is NAOZACIAFFAZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(2)12-22-19(24)16-9-8-15(11-17(16)20(22)25)21-18(23)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide?
N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 973563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).