(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione

C21H22N2O3 — CID 58587336

IUPAC(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione
SMILESCCCCN1C(=O)O/C(=C/CN(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C21H22N2O3/c1-2-3-15-23-20(24)19(26-21(23)25)14-16-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14H,2-3,15-16H2,1H3/b19-14+
InChIKeyVCJHNJCNIITNNY-XMHGGMMESA-N
MW350.42 g/mol
LogP4.49
Rot. Bonds7

About (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione

(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 58587336) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione
PubChem CID58587336
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione
SMILESCCCCN1C(=O)O/C(=C/CN(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C21H22N2O3/c1-2-3-15-23-20(24)19(26-21(23)25)14-16-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14H,2-3,15-16H2,1H3/b19-14+
InChIKeyVCJHNJCNIITNNY-XMHGGMMESA-N
XLogP4.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione (CID 58587336) is (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione is CCCCN1C(=O)O/C(=C/CN(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is VCJHNJCNIITNNY-XMHGGMMESA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-3-15-23-20(24)19(26-21(23)25)14-16-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14H,2-3,15-16H2,1H3/b19-14+.
What are the key properties of (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione?
(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58587336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).