3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide

C25H22N2O3 — CID 27782319

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)26-23(28)15-16-27-24(29)21-9-5-6-10-22(21)25(27)30/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyHFYZZPVYAGYFAH-KRWDZBQOSA-N
MW398.46 g/mol
LogP4.22
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide (PubChem CID 27782319) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
PubChem CID27782319
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)26-23(28)15-16-27-24(29)21-9-5-6-10-22(21)25(27)30/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyHFYZZPVYAGYFAH-KRWDZBQOSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.22
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-[(1S)-1-(4-phenylphenyl)ethyl]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-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
3-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 55657850
3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide
CID 19189100
3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
CID 45146224
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-phenylethyl)propanamide
CID 113202514
3-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 2939362
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide (CID 27782319) is 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide is C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
The InChIKey is HFYZZPVYAGYFAH-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)26-23(28)15-16-27-24(29)21-9-5-6-10-22(21)25(27)30/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m0/s1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide has a molecular weight of 398.46 g/mol, XLogP of 4.22, 6 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-[(1S)-1-(4-phenylphenyl)ethyl]propanamide is sourced from PubChem (CID 27782319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).