2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

C21H22N2O3 — CID 2926881

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-13(2)16-10-8-15(9-11-16)12-22-19(24)14(3)23-20(25)17-6-4-5-7-18(17)21(23)26/h4-11,13-14H,12H2,1-3H3,(H,22,24)
InChIKeyRNZRVKAQXITYBH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 2926881) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID2926881
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-13(2)16-10-8-15(9-11-16)12-22-19(24)14(3)23-20(25)17-6-4-5-7-18(17)21(23)26/h4-11,13-14H,12H2,1-3H3,(H,22,24)
InChIKeyRNZRVKAQXITYBH-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(4-propan-2-ylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926839
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 19165323
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
4-[[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]methyl]benzamide
CID 108766226
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 110443001
N-butan-2-yl-3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzamide
CID 55794894
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 2926881) is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is RNZRVKAQXITYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)16-10-8-15(9-11-16)12-22-19(24)14(3)23-20(25)17-6-4-5-7-18(17)21(23)26/h4-11,13-14H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 2926881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).