1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C26H33N5O6 — CID 146633766

IUPAC1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2CCCCC23CCN(C(C)=O)CC3)C1=O
InChIInChI=1S/C26H33N5O6/c1-17(32)29-13-10-25(11-14-29)8-3-4-12-31(25)21(33)16-30-22(34)26(37-24(30)36)9-7-18-15-19(5-6-20(18)26)28-23(35)27-2/h5-6,15H,3-4,7-14,16H2,1-2H3,(H2,27,28,35)
InChIKeySXOZPBPHIDZVBK-UHFFFAOYSA-N
MW511.58 g/mol
LogP1.95
Rot. Bonds3

About 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 146633766) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-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-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
PubChem CID146633766
Molecular FormulaC26H33N5O6
Molecular Weight511.58 g/mol
Exact Mass511.24
IUPAC Name1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2CCCCC23CCN(C(C)=O)CC3)C1=O
InChIInChI=1S/C26H33N5O6/c1-17(32)29-13-10-25(11-14-29)8-3-4-12-31(25)21(33)16-30-22(34)26(37-24(30)36)9-7-18-15-19(5-6-20(18)26)28-23(35)27-2/h5-6,15H,3-4,7-14,16H2,1-2H3,(H2,27,28,35)
InChIKeySXOZPBPHIDZVBK-UHFFFAOYSA-N
XLogP1.95
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-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-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 146633766) is 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-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-(9-acetyl-1,9-diazaspiro[5.5]undecan-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-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2CCCCC23CCN(C(C)=O)CC3)C1=O.
What is the InChIKey of 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The InChIKey is SXOZPBPHIDZVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6/c1-17(32)29-13-10-25(11-14-29)8-3-4-12-31(25)21(33)16-30-22(34)26(37-24(30)36)9-7-18-15-19(5-6-20(18)26)28-23(35)27-2/h5-6,15H,3-4,7-14,16H2,1-2H3,(H2,27,28,35).
What are the key properties of 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 511.58 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(9-acetyl-1,9-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 146633766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).