3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione

C24H28N2O3 — CID 134544764

IUPAC3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESC=C(CC)CC1CC(=O)N(CCN2CCOC2c2cccc3ccccc23)C1=O
InChIInChI=1S/C24H28N2O3/c1-3-17(2)15-19-16-22(27)26(23(19)28)12-11-25-13-14-29-24(25)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,19,24H,2-3,11-16H2,1H3
InChIKeyKJQJTHRHTKFVEB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.90
Rot. Bonds7

About 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione

3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 134544764) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID134544764
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESC=C(CC)CC1CC(=O)N(CCN2CCOC2c2cccc3ccccc23)C1=O
InChIInChI=1S/C24H28N2O3/c1-3-17(2)15-19-16-22(27)26(23(19)28)12-11-25-13-14-29-24(25)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,19,24H,2-3,11-16H2,1H3
InChIKeyKJQJTHRHTKFVEB-UHFFFAOYSA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione (CID 134544764) is 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione is C=C(CC)CC1CC(=O)N(CCN2CCOC2c2cccc3ccccc23)C1=O.
What is the InChIKey of 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is KJQJTHRHTKFVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-17(2)15-19-16-22(27)26(23(19)28)12-11-25-13-14-29-24(25)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,19,24H,2-3,11-16H2,1H3.
What are the key properties of 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 392.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebutyl)-1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134544764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).