1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C22H28N4O5 — CID 166775707

IUPAC1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCCC1CC(C)N(C(=O)CN2C(=O)OC3(CCc4cc(NC(=O)NC)ccc43)C2=O)C1
InChIInChI=1S/C22H28N4O5/c1-4-14-9-13(2)25(11-14)18(27)12-26-19(28)22(31-21(26)30)8-7-15-10-16(5-6-17(15)22)24-20(29)23-3/h5-6,10,13-14H,4,7-9,11-12H2,1-3H3,(H2,23,24,29)
InChIKeyFMBBAAFNZVNKKL-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.21
Rot. Bonds4

About 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 166775707) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
PubChem CID166775707
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCCC1CC(C)N(C(=O)CN2C(=O)OC3(CCc4cc(NC(=O)NC)ccc43)C2=O)C1
InChIInChI=1S/C22H28N4O5/c1-4-14-9-13(2)25(11-14)18(27)12-26-19(28)22(31-21(26)30)8-7-15-10-16(5-6-17(15)22)24-20(29)23-3/h5-6,10,13-14H,4,7-9,11-12H2,1-3H3,(H2,23,24,29)
InChIKeyFMBBAAFNZVNKKL-UHFFFAOYSA-N
XLogP2.21
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The IUPAC name of 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 166775707) is 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.
What is the SMILES notation for 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The canonical SMILES for 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CCC1CC(C)N(C(=O)CN2C(=O)OC3(CCc4cc(NC(=O)NC)ccc43)C2=O)C1.
What is the InChIKey of 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The InChIKey is FMBBAAFNZVNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-4-14-9-13(2)25(11-14)18(27)12-26-19(28)22(31-21(26)30)8-7-15-10-16(5-6-17(15)22)24-20(29)23-3/h5-6,10,13-14H,4,7-9,11-12H2,1-3H3,(H2,23,24,29).
What are the key properties of 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 428.49 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-ethyl-2-methylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 166775707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).