1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione

C20H36N2O3 — CID 59307219

IUPAC1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione
SMILESC=C(C)C(C1CC(=O)N(CCNCCO)C1=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H36N2O3/c1-14(2)17(20(6,7)13-19(3,4)5)15-12-16(24)22(18(15)25)10-8-21-9-11-23/h15,17,21,23H,1,8-13H2,2-7H3
InChIKeyWQRDWVBCLCAANQ-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.60
Rot. Bonds9

About 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione

1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione (PubChem CID 59307219) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione
PubChem CID59307219
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione
SMILESC=C(C)C(C1CC(=O)N(CCNCCO)C1=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H36N2O3/c1-14(2)17(20(6,7)13-19(3,4)5)15-12-16(24)22(18(15)25)10-8-21-9-11-23/h15,17,21,23H,1,8-13H2,2-7H3
InChIKeyWQRDWVBCLCAANQ-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione (CID 59307219) is 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione is C=C(C)C(C1CC(=O)N(CCNCCO)C1=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione?
The InChIKey is WQRDWVBCLCAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-14(2)17(20(6,7)13-19(3,4)5)15-12-16(24)22(18(15)25)10-8-21-9-11-23/h15,17,21,23H,1,8-13H2,2-7H3.
What are the key properties of 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione?
1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione has a molecular weight of 352.52 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59307219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).