(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one

C24H37NO2 — CID 170371825

IUPAC(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
SMILESCC[C@H](CO)C(=O)N1CCC2(CCC(c3cccc(C(C)(C)C)c3)C2)CC1
InChIInChI=1S/C24H37NO2/c1-5-18(17-26)22(27)25-13-11-24(12-14-25)10-9-20(16-24)19-7-6-8-21(15-19)23(2,3)4/h6-8,15,18,20,26H,5,9-14,16-17H2,1-4H3/t18-,20?/m1/s1
InChIKeyAOBNTTWJEUFJGR-QSVWIEALSA-N
MW371.57 g/mol
LogP4.88
Rot. Bonds4

About (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one

(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one (PubChem CID 170371825) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
PubChem CID170371825
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
SMILESCC[C@H](CO)C(=O)N1CCC2(CCC(c3cccc(C(C)(C)C)c3)C2)CC1
InChIInChI=1S/C24H37NO2/c1-5-18(17-26)22(27)25-13-11-24(12-14-25)10-9-20(16-24)19-7-6-8-21(15-19)23(2,3)4/h6-8,15,18,20,26H,5,9-14,16-17H2,1-4H3/t18-,20?/m1/s1
InChIKeyAOBNTTWJEUFJGR-QSVWIEALSA-N
XLogP4.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one with MolForge

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Related Compounds

(2R)-1-[6-[(3-cyclopropylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372985
(2R)-1-[6-(4-chloro-3-methoxyphenyl)-2-azaspiro[3.4]octan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170371997
(2R)-1-[6-[(3-cyclopropylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170373269
(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one
CID 170372655
8-(3-tert-butylphenyl)spiro[4.5]decane
CID 90870851
methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate
CID 175627851
methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
CID 166765350
(2R)-1-[6-[(3-cyclopropyl-2-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372365
tert-butyl 2-(3-chlorophenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155882874
N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide
CID 166767484
methyl N-[2-[1-(3-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166718104
(2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 170374482

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one?
The IUPAC name of (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one (CID 170371825) is (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one.
What is the SMILES notation for (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one?
The canonical SMILES for (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one is CC[C@H](CO)C(=O)N1CCC2(CCC(c3cccc(C(C)(C)C)c3)C2)CC1.
What is the InChIKey of (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one?
The InChIKey is AOBNTTWJEUFJGR-QSVWIEALSA-N. The full InChI is InChI=1S/C24H37NO2/c1-5-18(17-26)22(27)25-13-11-24(12-14-25)10-9-20(16-24)19-7-6-8-21(15-19)23(2,3)4/h6-8,15,18,20,26H,5,9-14,16-17H2,1-4H3/t18-,20?/m1/s1.
What are the key properties of (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one?
(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one has a molecular weight of 371.57 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one is sourced from PubChem (CID 170371825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).