(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

C24H30N2O3 — CID 92611453

IUPAC(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCOCc1ccc(OC)c(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-28-16-18-10-11-22(29-2)20(13-18)14-26-15-21(19-7-4-3-5-8-19)24(17-26)12-6-9-23(27)25-24/h3-5,7-8,10-11,13,21H,6,9,12,14-17H2,1-2H3,(H,25,27)/t21-,24+/m0/s1
InChIKeyZOAJIYHGQBQSHJ-XUZZJYLKSA-N
MW394.52 g/mol
LogP3.48
Rot. Bonds6

About (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92611453) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92611453
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCOCc1ccc(OC)c(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-28-16-18-10-11-22(29-2)20(13-18)14-26-15-21(19-7-4-3-5-8-19)24(17-26)12-6-9-23(27)25-24/h3-5,7-8,10-11,13,21H,6,9,12,14-17H2,1-2H3,(H,25,27)/t21-,24+/m0/s1
InChIKeyZOAJIYHGQBQSHJ-XUZZJYLKSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (CID 92611453) is (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is COCc1ccc(OC)c(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)c1.
What is the InChIKey of (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is ZOAJIYHGQBQSHJ-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-16-18-10-11-22(29-2)20(13-18)14-26-15-21(19-7-4-3-5-8-19)24(17-26)12-6-9-23(27)25-24/h3-5,7-8,10-11,13,21H,6,9,12,14-17H2,1-2H3,(H,25,27)/t21-,24+/m0/s1.
What are the key properties of (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 394.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92611453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).