(2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one

C25H32N2O2 — CID 90017371

IUPAC(2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCc1ccc(OCC(C)C)c(-c2cccc([C@H]3CC[C@]4(CCN(C)C4=O)N3)c2)c1
InChIInChI=1S/C25H32N2O2/c1-17(2)16-29-23-9-8-18(3)14-21(23)19-6-5-7-20(15-19)22-10-11-25(26-22)12-13-27(4)24(25)28/h5-9,14-15,17,22,26H,10-13,16H2,1-4H3/t22-,25-/m1/s1
InChIKeyWIVNGGPRCINJIQ-RCZVLFRGSA-N
MW392.54 g/mol
LogP4.72
Rot. Bonds5

About (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one

(2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 90017371) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID90017371
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCc1ccc(OCC(C)C)c(-c2cccc([C@H]3CC[C@]4(CCN(C)C4=O)N3)c2)c1
InChIInChI=1S/C25H32N2O2/c1-17(2)16-29-23-9-8-18(3)14-21(23)19-6-5-7-20(15-19)22-10-11-25(26-22)12-13-27(4)24(25)28/h5-9,14-15,17,22,26H,10-13,16H2,1-4H3/t22-,25-/m1/s1
InChIKeyWIVNGGPRCINJIQ-RCZVLFRGSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 90017371) is (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one is Cc1ccc(OCC(C)C)c(-c2cccc([C@H]3CC[C@]4(CCN(C)C4=O)N3)c2)c1.
What is the InChIKey of (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is WIVNGGPRCINJIQ-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(2)16-29-23-9-8-18(3)14-21(23)19-6-5-7-20(15-19)22-10-11-25(26-22)12-13-27(4)24(25)28/h5-9,14-15,17,22,26H,10-13,16H2,1-4H3/t22-,25-/m1/s1.
What are the key properties of (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
(2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 392.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-7-methyl-2-[3-[5-methyl-2-(2-methylpropoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 90017371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).