N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C21H22N2O3 — CID 78288061

IUPACN-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCC(C)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-3-14(2)15-8-6-7-11-18(15)22-19(24)12-13-23-20(25)16-9-4-5-10-17(16)21(23)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyPDOCODISQUFMGK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.82
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 78288061) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID78288061
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCC(C)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-3-14(2)15-8-6-7-11-18(15)22-19(24)12-13-23-20(25)16-9-4-5-10-17(16)21(23)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyPDOCODISQUFMGK-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.82
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

N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 7768880
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 78288061) is N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is CCC(C)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is PDOCODISQUFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-14(2)15-8-6-7-11-18(15)22-19(24)12-13-23-20(25)16-9-4-5-10-17(16)21(23)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 78288061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).