1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione

C24H38N2O2 — CID 144715394

IUPAC1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1C(=O)N(CCCN(C)C)C(=O)C1C(C)(C)C(C)(C)C
InChIInChI=1S/C24H38N2O2/c1-17(18-13-10-9-11-14-18)19-20(24(5,6)23(2,3)4)22(28)26(21(19)27)16-12-15-25(7)8/h9-11,13-14,17,19-20H,12,15-16H2,1-8H3
InChIKeyBXZZYTLWIQBMGK-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.42
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 144715394) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione
PubChem CID144715394
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1C(=O)N(CCCN(C)C)C(=O)C1C(C)(C)C(C)(C)C
InChIInChI=1S/C24H38N2O2/c1-17(18-13-10-9-11-14-18)19-20(24(5,6)23(2,3)4)22(28)26(21(19)27)16-12-15-25(7)8/h9-11,13-14,17,19-20H,12,15-16H2,1-8H3
InChIKeyBXZZYTLWIQBMGK-UHFFFAOYSA-N
XLogP4.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
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-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione (CID 144715394) is 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione is CC(c1ccccc1)C1C(=O)N(CCCN(C)C)C(=O)C1C(C)(C)C(C)(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is BXZZYTLWIQBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-17(18-13-10-9-11-14-18)19-20(24(5,6)23(2,3)4)22(28)26(21(19)27)16-12-15-25(7)8/h9-11,13-14,17,19-20H,12,15-16H2,1-8H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 386.58 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 144715394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).