2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium

C25H32N3O3+ — CID 8927721

IUPAC2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(C)C
InChIInChI=1S/C25H31N3O3/c1-17(2)27(18(3)4)15-14-26-23(29)22(16-19-10-6-5-7-11-19)28-24(30)20-12-8-9-13-21(20)25(28)31/h5-13,17-18,22H,14-16H2,1-4H3,(H,26,29)/p+1/t22-/m0/s1
InChIKeyYWHIZEJMQRFNFW-QFIPXVFZSA-O
MW422.55 g/mol
LogP1.71
Rot. Bonds9

About 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium

2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium (PubChem CID 8927721) has the molecular formula C25H32N3O3+ and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
PubChem CID8927721
Molecular FormulaC25H32N3O3+
Molecular Weight422.55 g/mol
Exact Mass422.24
IUPAC Name2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(C)C
InChIInChI=1S/C25H31N3O3/c1-17(2)27(18(3)4)15-14-26-23(29)22(16-19-10-6-5-7-11-19)28-24(30)20-12-8-9-13-21(20)25(28)31/h5-13,17-18,22H,14-16H2,1-4H3,(H,26,29)/p+1/t22-/m0/s1
InChIKeyYWHIZEJMQRFNFW-QFIPXVFZSA-O
XLogP1.71
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium with MolForge

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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
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Nvp-dky709
CID 137519326
N-Ethylphthalimide
CID 21120
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
(R)-Thalidomide
CID 75792
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
N,N'-Trimethylenediphthalimide
CID 248109
alpha-Phthalimidopropiophenone
CID 519663

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium?
The IUPAC name of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium (CID 8927721) is 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium?
The canonical SMILES for 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium is CC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(C)C.
What is the InChIKey of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium?
The InChIKey is YWHIZEJMQRFNFW-QFIPXVFZSA-O. The full InChI is InChI=1S/C25H31N3O3/c1-17(2)27(18(3)4)15-14-26-23(29)22(16-19-10-6-5-7-11-19)28-24(30)20-12-8-9-13-21(20)25(28)31/h5-13,17-18,22H,14-16H2,1-4H3,(H,26,29)/p+1/t22-/m0/s1.
What are the key properties of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium?
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium has a molecular weight of 422.55 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 8927721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).