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

C26H30N2O3 — CID 134544839

IUPAC1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione
SMILESC=C(CC)CC1CC(=O)N(CCN2CCOC2(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C26H30N2O3/c1-3-20(2)18-21-19-24(29)28(25(21)30)15-14-27-16-17-31-26(27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21H,2-3,14-19H2,1H3
InChIKeyAESVJBKUTNANAP-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.95
Rot. Bonds8

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

1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione (PubChem CID 134544839) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione
PubChem CID134544839
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione
SMILESC=C(CC)CC1CC(=O)N(CCN2CCOC2(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C26H30N2O3/c1-3-20(2)18-21-19-24(29)28(25(21)30)15-14-27-16-17-31-26(27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21H,2-3,14-19H2,1H3
InChIKeyAESVJBKUTNANAP-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.95
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 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione (CID 134544839) is 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione is C=C(CC)CC1CC(=O)N(CCN2CCOC2(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione?
The InChIKey is AESVJBKUTNANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-20(2)18-21-19-24(29)28(25(21)30)15-14-27-16-17-31-26(27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21H,2-3,14-19H2,1H3.
What are the key properties of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione?
1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione has a molecular weight of 418.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(2-methylidenebutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134544839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).