1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione

C17H24N2O2 — CID 97238227

IUPAC1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[C@H](NCCN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)16(13-7-5-4-6-8-13)18-11-12-19-14(20)9-10-15(19)21/h4-8,16,18H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyHBQHGBIUDZMEFM-MRXNPFEDSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds5

About 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione

1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 97238227) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione
PubChem CID97238227
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[C@H](NCCN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)16(13-7-5-4-6-8-13)18-11-12-19-14(20)9-10-15(19)21/h4-8,16,18H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyHBQHGBIUDZMEFM-MRXNPFEDSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione (CID 97238227) is 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione is CC(C)(C)[C@H](NCCN1C(=O)CCC1=O)c1ccccc1.
What is the InChIKey of 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is HBQHGBIUDZMEFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)16(13-7-5-4-6-8-13)18-11-12-19-14(20)9-10-15(19)21/h4-8,16,18H,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 97238227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).