(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one

C19H28N2O2 — CID 99946083

IUPAC(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccccc1[C@H]1CN(C(C)(C)C)C(=O)C12CCNCC2
InChIInChI=1S/C19H28N2O2/c1-18(2,3)21-13-15(14-7-5-6-8-16(14)23-4)19(17(21)22)9-11-20-12-10-19/h5-8,15,20H,9-13H2,1-4H3/t15-/m1/s1
InChIKeyJLXCAVQHVZYGEZ-OAHLLOKOSA-N
MW316.44 g/mol
LogP2.79
Rot. Bonds2

About (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one

(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 99946083) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID99946083
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccccc1[C@H]1CN(C(C)(C)C)C(=O)C12CCNCC2
InChIInChI=1S/C19H28N2O2/c1-18(2,3)21-13-15(14-7-5-6-8-16(14)23-4)19(17(21)22)9-11-20-12-10-19/h5-8,15,20H,9-13H2,1-4H3/t15-/m1/s1
InChIKeyJLXCAVQHVZYGEZ-OAHLLOKOSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 99946061
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
4-(2-methoxyphenyl)piperidine
CID 544738
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
CID 105455554
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
CID 129411572
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
2-(2-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82473465
1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667223
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 153204590

Frequently Asked Questions

What is the IUPAC name of (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 99946083) is (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one is COc1ccccc1[C@H]1CN(C(C)(C)C)C(=O)C12CCNCC2.
What is the InChIKey of (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JLXCAVQHVZYGEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)21-13-15(14-7-5-6-8-16(14)23-4)19(17(21)22)9-11-20-12-10-19/h5-8,15,20H,9-13H2,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 99946083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).