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

C21H22N2O3 — CID 51571611

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-15(11-12-16-7-3-2-4-8-16)22-19(24)13-14-23-20(25)17-9-5-6-10-18(17)21(23)26/h2-10,15H,11-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyGDOQIALFTQOJSC-OAHLLOKOSA-N
MW350.42 g/mol
LogP2.81
Rot. Bonds7

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

3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 51571611) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID51571611
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-15(11-12-16-7-3-2-4-8-16)22-19(24)13-14-23-20(25)17-9-5-6-10-18(17)21(23)26/h2-10,15H,11-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyGDOQIALFTQOJSC-OAHLLOKOSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-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

[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 40629225
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51949788
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950189
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950190
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 51571611) is 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide is C[C@H](CCc1ccccc1)NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is GDOQIALFTQOJSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(11-12-16-7-3-2-4-8-16)22-19(24)13-14-23-20(25)17-9-5-6-10-18(17)21(23)26/h2-10,15H,11-14H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 51571611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).