2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide

C25H22N2O3 — CID 3148598

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H22N2O3/c1-17(19-12-6-3-7-13-19)26-23(28)22(16-18-10-4-2-5-11-18)27-24(29)20-14-8-9-15-21(20)25(27)30/h2-15,17,22H,16H2,1H3,(H,26,28)
InChIKeyYIXOTXAPNRXEQT-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.77
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 3148598) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID3148598
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H22N2O3/c1-17(19-12-6-3-7-13-19)26-23(28)22(16-18-10-4-2-5-11-18)27-24(29)20-14-8-9-15-21(20)25(27)30/h2-15,17,22H,16H2,1H3,(H,26,28)
InChIKeyYIXOTXAPNRXEQT-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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

(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
CID 4158596
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945542
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
methyl (2S,3R)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-3-methylpentanoate
CID 8927874
(2S)-N-[(1R)-1-[4-(2-bromoethyl)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 1246802
N-[1-[4-(2-bromoethyl)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 3384262
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide (CID 3148598) is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is YIXOTXAPNRXEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17(19-12-6-3-7-13-19)26-23(28)22(16-18-10-4-2-5-11-18)27-24(29)20-14-8-9-15-21(20)25(27)30/h2-15,17,22H,16H2,1H3,(H,26,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 398.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 3148598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).