3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

C23H30N2O2 — CID 2891140

IUPAC3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NC(C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C23H30N2O2/c1-14-3-5-19(6-4-14)25-21(26)10-20(22(25)27)24-15(2)23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,15-18,20,24H,7-13H2,1-2H3
InChIKeyRYCUSVMSELEEDX-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.82
Rot. Bonds4

About 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2891140) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2891140
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NC(C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C23H30N2O2/c1-14-3-5-19(6-4-14)25-21(26)10-20(22(25)27)24-15(2)23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,15-18,20,24H,7-13H2,1-2H3
InChIKeyRYCUSVMSELEEDX-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.82
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 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 2891140) is 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(NC(C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1.
What is the InChIKey of 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RYCUSVMSELEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-14-3-5-19(6-4-14)25-21(26)10-20(22(25)27)24-15(2)23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,15-18,20,24H,7-13H2,1-2H3.
What are the key properties of 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 366.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-adamantyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2891140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).