(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

C23H30N2O2 — CID 7236089

IUPAC(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@H](NCC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H30N2O2/c1-14-4-3-5-15(2)21(14)25-20(26)9-19(22(25)27)24-13-23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,16-19,24H,6-13H2,1-2H3/t16?,17?,18?,19-,23?/m0/s1
InChIKeyHNCWJMWXWVNAEF-HJGBXLFDSA-N
MW366.51 g/mol
LogP3.74
Rot. Bonds4

About (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 7236089) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID7236089
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@H](NCC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H30N2O2/c1-14-4-3-5-15(2)21(14)25-20(26)9-19(22(25)27)24-13-23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,16-19,24H,6-13H2,1-2H3/t16?,17?,18?,19-,23?/m0/s1
InChIKeyHNCWJMWXWVNAEF-HJGBXLFDSA-N
XLogP3.74
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 ≤ 53.74
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 (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione (CID 7236089) is (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)C[C@H](NCC23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is HNCWJMWXWVNAEF-HJGBXLFDSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-14-4-3-5-15(2)21(14)25-20(26)9-19(22(25)27)24-13-23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,16-19,24H,6-13H2,1-2H3/t16?,17?,18?,19-,23?/m0/s1.
What are the key properties of (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 366.51 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7236089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).