N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C21H22N2O3 — CID 1300800

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC[C@@H](C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-3-14(2)15-8-10-16(11-9-15)22-19(24)12-13-23-20(25)17-6-4-5-7-18(17)21(23)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyFKZOYSJHIJOECR-CQSZACIVSA-N
MW350.42 g/mol
LogP3.82
Rot. Bonds6

About N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1300800) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1300800
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC[C@@H](C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-3-14(2)15-8-10-16(11-9-15)22-19(24)12-13-23-20(25)17-6-4-5-7-18(17)21(23)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyFKZOYSJHIJOECR-CQSZACIVSA-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'}

Analyze N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 55657850
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 78288061
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597820
N-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 973423
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202585
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 1300800) is N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is CC[C@@H](C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is FKZOYSJHIJOECR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-14(2)15-8-10-16(11-9-15)22-19(24)12-13-23-20(25)17-6-4-5-7-18(17)21(23)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[4-[(2R)-butan-2-yl]phenyl]-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-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1300800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).