1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione

C23H24Cl2N2O4 — CID 19836230

IUPAC1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESCC1C(=O)N(c2ccc(O)c(Cl)c2)C2(C1C)C(C)C(C)C(=O)N2c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H24Cl2N2O4/c1-11-13(3)23(26(21(11)30)15-5-7-19(28)17(24)9-15)14(4)12(2)22(31)27(23)16-6-8-20(29)18(25)10-16/h5-14,28-29H,1-4H3
InChIKeyXBCZSVJYDSCMCV-UHFFFAOYSA-N
MW463.36 g/mol
LogP5.04
Rot. Bonds2

About 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione

1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione (PubChem CID 19836230) has the molecular formula C23H24Cl2N2O4 and a molecular weight of 463.36 g/mol. Its IUPAC name is 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
PubChem CID19836230
Molecular FormulaC23H24Cl2N2O4
Molecular Weight463.36 g/mol
Exact Mass462.11
IUPAC Name1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESCC1C(=O)N(c2ccc(O)c(Cl)c2)C2(C1C)C(C)C(C)C(=O)N2c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H24Cl2N2O4/c1-11-13(3)23(26(21(11)30)15-5-7-19(28)17(24)9-15)14(4)12(2)22(31)27(23)16-6-8-20(29)18(25)10-16/h5-14,28-29H,1-4H3
InChIKeyXBCZSVJYDSCMCV-UHFFFAOYSA-N
XLogP5.04
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione (CID 19836230) is 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione is CC1C(=O)N(c2ccc(O)c(Cl)c2)C2(C1C)C(C)C(C)C(=O)N2c1ccc(O)c(Cl)c1.
What is the InChIKey of 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The InChIKey is XBCZSVJYDSCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O4/c1-11-13(3)23(26(21(11)30)15-5-7-19(28)17(24)9-15)14(4)12(2)22(31)27(23)16-6-8-20(29)18(25)10-16/h5-14,28-29H,1-4H3.
What are the key properties of 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione has a molecular weight of 463.36 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(3-chloro-4-hydroxyphenyl)-3,4,8,9-tetramethyl-1,6-diazaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 19836230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).