1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione

C21H22N2O4 — CID 19835312

IUPAC1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESCC1CC2(CC(C)C(=O)N2c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-11-21(22(19(13)26)15-3-7-17(24)8-4-15)12-14(2)20(27)23(21)16-5-9-18(25)10-6-16/h3-10,13-14,24-25H,11-12H2,1-2H3
InChIKeyXHRDYSLELCADCS-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.24
Rot. Bonds2

About 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione

1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione (PubChem CID 19835312) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
PubChem CID19835312
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESCC1CC2(CC(C)C(=O)N2c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-11-21(22(19(13)26)15-3-7-17(24)8-4-15)12-14(2)20(27)23(21)16-5-9-18(25)10-6-16/h3-10,13-14,24-25H,11-12H2,1-2H3
InChIKeyXHRDYSLELCADCS-UHFFFAOYSA-N
XLogP3.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione (CID 19835312) is 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione is CC1CC2(CC(C)C(=O)N2c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The InChIKey is XHRDYSLELCADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-11-21(22(19(13)26)15-3-7-17(24)8-4-15)12-14(2)20(27)23(21)16-5-9-18(25)10-6-16/h3-10,13-14,24-25H,11-12H2,1-2H3.
What are the key properties of 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione has a molecular weight of 366.42 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 19835312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).