3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C26H29N3O5 — CID 132773198

IUPAC3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1CCCN1CCOc1ccccc1C(=O)N1CCC2(CN(Cc3ccccc3)C(=O)O2)C1
InChIInChI=1S/C26H29N3O5/c30-23-11-6-13-27(23)15-16-33-22-10-5-4-9-21(22)24(31)28-14-12-26(18-28)19-29(25(32)34-26)17-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2
InChIKeyZIHOJZVUTDRWED-UHFFFAOYSA-N
MW463.53 g/mol
LogP2.92
Rot. Bonds7

About 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 132773198) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID132773198
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1CCCN1CCOc1ccccc1C(=O)N1CCC2(CN(Cc3ccccc3)C(=O)O2)C1
InChIInChI=1S/C26H29N3O5/c30-23-11-6-13-27(23)15-16-33-22-10-5-4-9-21(22)24(31)28-14-12-26(18-28)19-29(25(32)34-26)17-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2
InChIKeyZIHOJZVUTDRWED-UHFFFAOYSA-N
XLogP2.92
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 132773198) is 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C1CCCN1CCOc1ccccc1C(=O)N1CCC2(CN(Cc3ccccc3)C(=O)O2)C1.
What is the InChIKey of 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ZIHOJZVUTDRWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c30-23-11-6-13-27(23)15-16-33-22-10-5-4-9-21(22)24(31)28-14-12-26(18-28)19-29(25(32)34-26)17-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2.
What are the key properties of 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 463.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 132773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).