2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C32H33N5O6 — CID 75302057

IUPAC2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCOc1cccc(C2CNC3(COCCOC3)C(=O)N2CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1
InChIInChI=1S/C32H33N5O6/c1-41-24-5-2-4-20(13-24)26-16-34-32(18-42-10-11-43-19-32)30(40)37(26)17-27(38)35-23-8-7-21-14-31(15-22(21)12-23)25-6-3-9-33-28(25)36-29(31)39/h2-9,12-13,26,34H,10-11,14-19H2,1H3,(H,35,38)(H,33,36,39)
InChIKeyXURJNJAHNLIGCM-UHFFFAOYSA-N
MW583.65 g/mol
LogP1.98
Rot. Bonds5

About 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 75302057) has the molecular formula C32H33N5O6 and a molecular weight of 583.65 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID75302057
Molecular FormulaC32H33N5O6
Molecular Weight583.65 g/mol
Exact Mass583.24
IUPAC Name2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCOc1cccc(C2CNC3(COCCOC3)C(=O)N2CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1
InChIInChI=1S/C32H33N5O6/c1-41-24-5-2-4-20(13-24)26-16-34-32(18-42-10-11-43-19-32)30(40)37(26)17-27(38)35-23-8-7-21-14-31(15-22(21)12-23)25-6-3-9-33-28(25)36-29(31)39/h2-9,12-13,26,34H,10-11,14-19H2,1H3,(H,35,38)(H,33,36,39)
InChIKeyXURJNJAHNLIGCM-UHFFFAOYSA-N
XLogP1.98
TPSA131.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.65
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 75302057) is 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is COc1cccc(C2CNC3(COCCOC3)C(=O)N2CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is XURJNJAHNLIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O6/c1-41-24-5-2-4-20(13-24)26-16-34-32(18-42-10-11-43-19-32)30(40)37(26)17-27(38)35-23-8-7-21-14-31(15-22(21)12-23)25-6-3-9-33-28(25)36-29(31)39/h2-9,12-13,26,34H,10-11,14-19H2,1H3,(H,35,38)(H,33,36,39).
What are the key properties of 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 583.65 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 75302057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).