3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one

C29H32N2O4 — CID 3782615

IUPAC3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CC(=O)N2CCC3(CCN(C(=O)CC4Cc5ccccc5C4)CC3)C2)c2ccccc21
InChIInChI=1S/C29H32N2O4/c32-26(17-20-15-21-5-1-2-6-22(21)16-20)30-12-9-29(10-13-30)11-14-31(19-29)27(33)18-25-23-7-3-4-8-24(23)28(34)35-25/h1-8,20,25H,9-19H2
InChIKeyUACSAOQMJCOBAW-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.93
Rot. Bonds4

About 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one

3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one (PubChem CID 3782615) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
PubChem CID3782615
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CC(=O)N2CCC3(CCN(C(=O)CC4Cc5ccccc5C4)CC3)C2)c2ccccc21
InChIInChI=1S/C29H32N2O4/c32-26(17-20-15-21-5-1-2-6-22(21)16-20)30-12-9-29(10-13-30)11-14-31(19-29)27(33)18-25-23-7-3-4-8-24(23)28(34)35-25/h1-8,20,25H,9-19H2
InChIKeyUACSAOQMJCOBAW-UHFFFAOYSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one (CID 3782615) is 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one is O=C1OC(CC(=O)N2CCC3(CCN(C(=O)CC4Cc5ccccc5C4)CC3)C2)c2ccccc21.
What is the InChIKey of 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
The InChIKey is UACSAOQMJCOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c32-26(17-20-15-21-5-1-2-6-22(21)16-20)30-12-9-29(10-13-30)11-14-31(19-29)27(33)18-25-23-7-3-4-8-24(23)28(34)35-25/h1-8,20,25H,9-19H2.
What are the key properties of 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one has a molecular weight of 472.59 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3782615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).