4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one

C31H46N2O3 — CID 139375376

IUPAC4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C31H46N2O3/c1-24(18-25-10-4-2-5-11-25)29(35)32-17-16-31(36,30(22-32)14-8-9-15-30)23-33-21-27(20-28(33)34)19-26-12-6-3-7-13-26/h3,6-7,12-13,24-25,27,36H,2,4-5,8-11,14-23H2,1H3/t24-,27?,31?/m1/s1
InChIKeyDCQXAMDLWUXFAF-ABSJTJJKSA-N
MW494.72 g/mol
LogP5.21
Rot. Bonds7

About 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one

4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one (PubChem CID 139375376) has the molecular formula C31H46N2O3 and a molecular weight of 494.72 g/mol. Its IUPAC name is 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one
PubChem CID139375376
Molecular FormulaC31H46N2O3
Molecular Weight494.72 g/mol
Exact Mass494.35
IUPAC Name4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C31H46N2O3/c1-24(18-25-10-4-2-5-11-25)29(35)32-17-16-31(36,30(22-32)14-8-9-15-30)23-33-21-27(20-28(33)34)19-26-12-6-3-7-13-26/h3,6-7,12-13,24-25,27,36H,2,4-5,8-11,14-23H2,1H3/t24-,27?,31?/m1/s1
InChIKeyDCQXAMDLWUXFAF-ABSJTJJKSA-N
XLogP5.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one (CID 139375376) is 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)C2(CCCC2)C1.
What is the InChIKey of 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one?
The InChIKey is DCQXAMDLWUXFAF-ABSJTJJKSA-N. The full InChI is InChI=1S/C31H46N2O3/c1-24(18-25-10-4-2-5-11-25)29(35)32-17-16-31(36,30(22-32)14-8-9-15-30)23-33-21-27(20-28(33)34)19-26-12-6-3-7-13-26/h3,6-7,12-13,24-25,27,36H,2,4-5,8-11,14-23H2,1H3/t24-,27?,31?/m1/s1.
What are the key properties of 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one?
4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one has a molecular weight of 494.72 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 139375376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).