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

C31H26N2O3 — CID 45146224

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H26N2O3/c34-29(19-20-33-30(35)26-13-7-8-14-27(26)31(33)36)32-28(21-22-9-3-1-4-10-22)25-17-15-24(16-18-25)23-11-5-2-6-12-23/h1-18,28H,19-21H2,(H,32,34)
InChIKeyALGTUIWNZMJOLF-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.44
Rot. Bonds8

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

3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide (PubChem CID 45146224) has the molecular formula C31H26N2O3 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
PubChem CID45146224
Molecular FormulaC31H26N2O3
Molecular Weight474.56 g/mol
Exact Mass474.19
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H26N2O3/c34-29(19-20-33-30(35)26-13-7-8-14-27(26)31(33)36)32-28(21-22-9-3-1-4-10-22)25-17-15-24(16-18-25)23-11-5-2-6-12-23/h1-18,28H,19-21H2,(H,32,34)
InChIKeyALGTUIWNZMJOLF-UHFFFAOYSA-N
XLogP5.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.44
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

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
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51949788
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804
N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23993693

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide (CID 45146224) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide?
The InChIKey is ALGTUIWNZMJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O3/c34-29(19-20-33-30(35)26-13-7-8-14-27(26)31(33)36)32-28(21-22-9-3-1-4-10-22)25-17-15-24(16-18-25)23-11-5-2-6-12-23/h1-18,28H,19-21H2,(H,32,34).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide has a molecular weight of 474.56 g/mol, XLogP of 5.44, 8 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-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide is sourced from PubChem (CID 45146224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).