(6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione

C31H32N2O6 — CID 57379908

IUPAC(6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
SMILESCOc1cc(OC)cc([C@@H]2CC(=O)C[C@@H](c3cc(OC)cc(OC)c3)C23C(=O)N(c2ccccc2)N=C3C)c1
InChIInChI=1S/C31H32N2O6/c1-19-31(30(35)33(32-19)22-9-7-6-8-10-22)28(20-11-24(36-2)17-25(12-20)37-3)15-23(34)16-29(31)21-13-26(38-4)18-27(14-21)39-5/h6-14,17-18,28-29H,15-16H2,1-5H3/t28-,29-/m0/s1
InChIKeyFFRCZWVUZKPUPU-VMPREFPWSA-N
MW528.61 g/mol
LogP5.36
Rot. Bonds7

About (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione

(6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione (PubChem CID 57379908) has the molecular formula C31H32N2O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione.

Molecular Properties

Compound Name(6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
PubChem CID57379908
Molecular FormulaC31H32N2O6
Molecular Weight528.61 g/mol
Exact Mass528.23
IUPAC Name(6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
SMILESCOc1cc(OC)cc([C@@H]2CC(=O)C[C@@H](c3cc(OC)cc(OC)c3)C23C(=O)N(c2ccccc2)N=C3C)c1
InChIInChI=1S/C31H32N2O6/c1-19-31(30(35)33(32-19)22-9-7-6-8-10-22)28(20-11-24(36-2)17-25(12-20)37-3)15-23(34)16-29(31)21-13-26(38-4)18-27(14-21)39-5/h6-14,17-18,28-29H,15-16H2,1-5H3/t28-,29-/m0/s1
InChIKeyFFRCZWVUZKPUPU-VMPREFPWSA-N
XLogP5.36
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
The IUPAC name of (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione (CID 57379908) is (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione.
What is the SMILES notation for (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
The canonical SMILES for (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione is COc1cc(OC)cc([C@@H]2CC(=O)C[C@@H](c3cc(OC)cc(OC)c3)C23C(=O)N(c2ccccc2)N=C3C)c1.
What is the InChIKey of (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
The InChIKey is FFRCZWVUZKPUPU-VMPREFPWSA-N. The full InChI is InChI=1S/C31H32N2O6/c1-19-31(30(35)33(32-19)22-9-7-6-8-10-22)28(20-11-24(36-2)17-25(12-20)37-3)15-23(34)16-29(31)21-13-26(38-4)18-27(14-21)39-5/h6-14,17-18,28-29H,15-16H2,1-5H3/t28-,29-/m0/s1.
What are the key properties of (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
(6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione has a molecular weight of 528.61 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-6,10-bis(3,5-dimethoxyphenyl)-1-methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione is sourced from PubChem (CID 57379908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).