5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one

C23H28N2O5 — CID 72950077

IUPAC5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
SMILESCc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3)ccc2c1COC2=O
InChIInChI=1S/C23H28N2O5/c1-15-17(2-3-18-19(15)13-30-22(18)28)20(26)11-24-7-4-23(5-8-24)6-9-25(14-23)16-10-21(27)29-12-16/h2-3,10,20,26H,4-9,11-14H2,1H3/t20-/m0/s1
InChIKeyRXBOHMYNNSSXNZ-FQEVSTJZSA-N
MW412.49 g/mol
LogP1.93
Rot. Bonds4

About 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one

5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one (PubChem CID 72950077) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
PubChem CID72950077
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
SMILESCc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3)ccc2c1COC2=O
InChIInChI=1S/C23H28N2O5/c1-15-17(2-3-18-19(15)13-30-22(18)28)20(26)11-24-7-4-23(5-8-24)6-9-25(14-23)16-10-21(27)29-12-16/h2-3,10,20,26H,4-9,11-14H2,1H3/t20-/m0/s1
InChIKeyRXBOHMYNNSSXNZ-FQEVSTJZSA-N
XLogP1.93
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one 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 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one (CID 72950077) is 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one is Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3)ccc2c1COC2=O.
What is the InChIKey of 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The InChIKey is RXBOHMYNNSSXNZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15-17(2-3-18-19(15)13-30-22(18)28)20(26)11-24-7-4-23(5-8-24)6-9-25(14-23)16-10-21(27)29-12-16/h2-3,10,20,26H,4-9,11-14H2,1H3/t20-/m0/s1.
What are the key properties of 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 412.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-hydroxy-2-[2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 72950077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).