2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one

C23H26N2O2 — CID 137456160

IUPAC2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CC4(CCC(=O)N4)C3)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)19-10-8-17(9-11-19)16-4-6-18(7-5-16)21(27)25-14-23(15-25)13-12-20(26)24-23/h4-11H,12-15H2,1-3H3,(H,24,26)
InChIKeyMXDJJAGOAQCSMZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.76
Rot. Bonds2

About 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one

2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 137456160) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID137456160
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CC4(CCC(=O)N4)C3)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)19-10-8-17(9-11-19)16-4-6-18(7-5-16)21(27)25-14-23(15-25)13-12-20(26)24-23/h4-11H,12-15H2,1-3H3,(H,24,26)
InChIKeyMXDJJAGOAQCSMZ-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3-(1,1-difluoro-2-methylprop-2-enoxy)phenyl]benzoyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137468500
2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137455959
2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456015
2-(4-bromo-2-methylbenzoyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456057
1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121450349
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
CID 121450337
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90653687
2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137455819
2-[3-chloro-6-(4-chlorophenyl)-1-benzothiophene-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137455932
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
2-[3-chloro-6-(4-propan-2-ylphenyl)-1-benzothiophene-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137456195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one (CID 137456160) is 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one is CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC4(CCC(=O)N4)C3)cc2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is MXDJJAGOAQCSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-22(2,3)19-10-8-17(9-11-19)16-4-6-18(7-5-16)21(27)25-14-23(15-25)13-12-20(26)24-23/h4-11H,12-15H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 362.47 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137456160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).