(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C22H28N2O — CID 124637599

IUPAC(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc([C@@H]2CN(Cc3ccccc3)CC3(CCNCC3)O2)cc1
InChIInChI=1S/C22H28N2O/c1-18-7-9-20(10-8-18)21-16-24(15-19-5-3-2-4-6-19)17-22(25-21)11-13-23-14-12-22/h2-10,21,23H,11-17H2,1H3/t21-/m0/s1
InChIKeyGRGXCRWCHVOXGY-NRFANRHFSA-N
MW336.48 g/mol
LogP3.69
Rot. Bonds3

About (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane

(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 124637599) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID124637599
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc([C@@H]2CN(Cc3ccccc3)CC3(CCNCC3)O2)cc1
InChIInChI=1S/C22H28N2O/c1-18-7-9-20(10-8-18)21-16-24(15-19-5-3-2-4-6-19)17-22(25-21)11-13-23-14-12-22/h2-10,21,23H,11-17H2,1H3/t21-/m0/s1
InChIKeyGRGXCRWCHVOXGY-NRFANRHFSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 88924385
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
1-benzyl-3,3-difluoro-4-(4-methylphenyl)pyrrolidine
CID 122380731
[4-benzyl-2-(4-chlorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70872873
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
CID 118356567
(3aS,6aS)-5-benzyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125461885
(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
CID 139384919
2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
CID 58017660
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
CID 118960501

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 124637599) is (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1ccc([C@@H]2CN(Cc3ccccc3)CC3(CCNCC3)O2)cc1.
What is the InChIKey of (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is GRGXCRWCHVOXGY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-7-9-20(10-8-18)21-16-24(15-19-5-3-2-4-6-19)17-22(25-21)11-13-23-14-12-22/h2-10,21,23H,11-17H2,1H3/t21-/m0/s1.
What are the key properties of (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 336.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 124637599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).