2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide

C20H20N2O3 — CID 51157933

IUPAC2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H20N2O3/c1-13(8-9-14-6-4-3-5-7-14)21-18(23)15-10-11-16-17(12-15)20(25)22(2)19(16)24/h3-7,10-13H,8-9H2,1-2H3,(H,21,23)
InChIKeyRGERWSSWTHMJEW-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.66
Rot. Bonds5

About 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide

2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide (PubChem CID 51157933) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
PubChem CID51157933
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H20N2O3/c1-13(8-9-14-6-4-3-5-7-14)21-18(23)15-10-11-16-17(12-15)20(25)22(2)19(16)24/h3-7,10-13H,8-9H2,1-2H3,(H,21,23)
InChIKeyRGERWSSWTHMJEW-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 119587154
(11S)-5-benzyl-6,11-dioxo-N-[(2S)-4-phenylbutan-2-yl]benzo[b][1,4]benzothiazepine-3-carboxamide
CID 92663121
5-benzyl-6,11-dioxo-N-(4-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 20861018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide (CID 51157933) is 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide?
The InChIKey is RGERWSSWTHMJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(8-9-14-6-4-3-5-7-14)21-18(23)15-10-11-16-17(12-15)20(25)22(2)19(16)24/h3-7,10-13H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide?
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 51157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).