sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide

C43H57N2NaO8 — CID 159897741

IUPACsodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide
SMILESCC1=C(c2c(C)cc(C)c(C)c2C)C(=O)NC12CCC1(CC2)OCCO1.Cc1cc(C)c(C2=C(O)C3(CCC4(CC3)OCCO4)NC2=O)c(C)c1C.[Na+].[OH-]
InChIInChI=1S/C22H29NO3.C21H27NO4.Na.H2O/c1-13-12-14(2)18(16(4)15(13)3)19-17(5)21(23-20(19)24)6-8-22(9-7-21)25-10-11-26-22;1-12-11-13(2)16(15(4)14(12)3)17-18(23)20(22-19(17)24)5-7-21(8-6-20)25-9-10-26-21;;/h12H,6-11H2,1-5H3,(H,23,24);11,23H,5-10H2,1-4H3,(H,22,24);;1H2/q;;+1;/p-1
InChIKeyNVOFOCOQAODBCY-UHFFFAOYSA-M
MW752.93 g/mol
LogP4.08
Rot. Bonds2

About sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide

sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide (PubChem CID 159897741) has the molecular formula C43H57N2NaO8 and a molecular weight of 752.93 g/mol. Its IUPAC name is sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide.

Molecular Properties

Compound Namesodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide
PubChem CID159897741
Molecular FormulaC43H57N2NaO8
Molecular Weight752.93 g/mol
Exact Mass752.40
IUPAC Namesodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide
SMILESCC1=C(c2c(C)cc(C)c(C)c2C)C(=O)NC12CCC1(CC2)OCCO1.Cc1cc(C)c(C2=C(O)C3(CCC4(CC3)OCCO4)NC2=O)c(C)c1C.[Na+].[OH-]
InChIInChI=1S/C22H29NO3.C21H27NO4.Na.H2O/c1-13-12-14(2)18(16(4)15(13)3)19-17(5)21(23-20(19)24)6-8-22(9-7-21)25-10-11-26-22;1-12-11-13(2)16(15(4)14(12)3)17-18(23)20(22-19(17)24)5-7-21(8-6-20)25-9-10-26-21;;/h12H,6-11H2,1-5H3,(H,23,24);11,23H,5-10H2,1-4H3,(H,22,24);;1H2/q;;+1;/p-1
InChIKeyNVOFOCOQAODBCY-UHFFFAOYSA-M
XLogP4.08
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500752.93
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethylphenyl)-1-hydroxy-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
CID 58220946
1-methoxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
CID 158136448
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54712648
8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 59562770
4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 59142003
4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54692186
(5S,7S)-3-(4-bromo-2,6-dimethylphenyl)-4-hydroxy-7-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54707675
8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 76853144
3-(2-bromo-6-ethyl-4-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 59533771
3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
CID 67375580
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54689456
3-(4-bromo-2-chloro-6-methylphenyl)-4-hydroxy-7-methyl-8-oxa-1-azaspiro[4.5]dec-3-en-2-one
CID 54708504

Frequently Asked Questions

What is the IUPAC name of sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide?
The IUPAC name of sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide (CID 159897741) is sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide.
What is the SMILES notation for sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide?
The canonical SMILES for sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide is CC1=C(c2c(C)cc(C)c(C)c2C)C(=O)NC12CCC1(CC2)OCCO1.Cc1cc(C)c(C2=C(O)C3(CCC4(CC3)OCCO4)NC2=O)c(C)c1C.[Na+].[OH-].
What is the InChIKey of sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide?
The InChIKey is NVOFOCOQAODBCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H29NO3.C21H27NO4.Na.H2O/c1-13-12-14(2)18(16(4)15(13)3)19-17(5)21(23-20(19)24)6-8-22(9-7-21)25-10-11-26-22;1-12-11-13(2)16(15(4)14(12)3)17-18(23)20(22-19(17)24)5-7-21(8-6-20)25-9-10-26-21;;/h12H,6-11H2,1-5H3,(H,23,24);11,23H,5-10H2,1-4H3,(H,22,24);;1H2/q;;+1;/p-1.
What are the key properties of sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide?
sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide has a molecular weight of 752.93 g/mol, XLogP of 4.08, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-hydroxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;1-methyl-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one;hydroxide is sourced from PubChem (CID 159897741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).