(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one

C24H28N2O3 — CID 99812159

IUPAC(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
SMILESCCc1ccccc1O[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-2-18-9-6-7-12-20(18)29-22(19-10-4-3-5-11-19)23(28)26-14-8-13-24(17-26)15-21(27)25-16-24/h3-7,9-12,22H,2,8,13-17H2,1H3,(H,25,27)/t22-,24-/m0/s1
InChIKeyOJIQHNUVTZFAMO-UPVQGACJSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds5

About (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one

(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 99812159) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
PubChem CID99812159
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
SMILESCCc1ccccc1O[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-2-18-9-6-7-12-20(18)29-22(19-10-4-3-5-11-19)23(28)26-14-8-13-24(17-26)15-21(27)25-16-24/h3-7,9-12,22H,2,8,13-17H2,1H3,(H,25,27)/t22-,24-/m0/s1
InChIKeyOJIQHNUVTZFAMO-UPVQGACJSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one (CID 99812159) is (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one is CCc1ccccc1O[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccccc1.
What is the InChIKey of (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is OJIQHNUVTZFAMO-UPVQGACJSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-18-9-6-7-12-20(18)29-22(19-10-4-3-5-11-19)23(28)26-14-8-13-24(17-26)15-21(27)25-16-24/h3-7,9-12,22H,2,8,13-17H2,1H3,(H,25,27)/t22-,24-/m0/s1.
What are the key properties of (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 99812159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).