2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide

C21H22N2O3 — CID 3750987

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide
SMILESCC(C)C(NC(=O)C(C)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-13(2)18(15-9-5-4-6-10-15)22-19(24)14(3)23-20(25)16-11-7-8-12-17(16)21(23)26/h4-14,18H,1-3H3,(H,22,24)
InChIKeyULLFHXKVKZAKOJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.18
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide (PubChem CID 3750987) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide
PubChem CID3750987
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide
SMILESCC(C)C(NC(=O)C(C)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-13(2)18(15-9-5-4-6-10-15)22-19(24)14(3)23-20(25)16-11-7-8-12-17(16)21(23)26/h4-14,18H,1-3H3,(H,22,24)
InChIKeyULLFHXKVKZAKOJ-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.18
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

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Nvp-dky709
CID 137519326
Isopropylphthalimide
CID 67535
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
(R)-Thalidomide
CID 75792
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide (CID 3750987) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide is CC(C)C(NC(=O)C(C)N1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide?
The InChIKey is ULLFHXKVKZAKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)18(15-9-5-4-6-10-15)22-19(24)14(3)23-20(25)16-11-7-8-12-17(16)21(23)26/h4-14,18H,1-3H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.18, 5 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)-N-(2-methyl-1-phenylpropyl)propanamide is sourced from PubChem (CID 3750987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).