(2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

C23H35NO3 — CID 170373767

IUPAC(2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
SMILESCCC[C@H](CO)C(=O)N1CC2(CCC(Oc3ccccc3C(C)C)CC2)C1
InChIInChI=1S/C23H35NO3/c1-4-7-18(14-25)22(26)24-15-23(16-24)12-10-19(11-13-23)27-21-9-6-5-8-20(21)17(2)3/h5-6,8-9,17-19,25H,4,7,10-16H2,1-3H3/t18-/m1/s1
InChIKeyWDXANWOXXADSBX-GOSISDBHSA-N
MW373.54 g/mol
LogP4.37
Rot. Bonds7

About (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

(2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (PubChem CID 170373767) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
PubChem CID170373767
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name(2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
SMILESCCC[C@H](CO)C(=O)N1CC2(CCC(Oc3ccccc3C(C)C)CC2)C1
InChIInChI=1S/C23H35NO3/c1-4-7-18(14-25)22(26)24-15-23(16-24)12-10-19(11-13-23)27-21-9-6-5-8-20(21)17(2)3/h5-6,8-9,17-19,25H,4,7,10-16H2,1-3H3/t18-/m1/s1
InChIKeyWDXANWOXXADSBX-GOSISDBHSA-N
XLogP4.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (CID 170373767) is (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is CCC[C@H](CO)C(=O)N1CC2(CCC(Oc3ccccc3C(C)C)CC2)C1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The InChIKey is WDXANWOXXADSBX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H35NO3/c1-4-7-18(14-25)22(26)24-15-23(16-24)12-10-19(11-13-23)27-21-9-6-5-8-20(21)17(2)3/h5-6,8-9,17-19,25H,4,7,10-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
(2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one has a molecular weight of 373.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-1-[7-(2-propan-2-ylphenoxy)-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is sourced from PubChem (CID 170373767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).