sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine

C33H44Cl2N3NaO4 — CID 143970806

About sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine

sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine (PubChem CID 143970806) has the molecular formula C33H44Cl2N3NaO4 and a molecular weight of 640.63 g/mol. Its IUPAC name is sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine.

Molecular Properties

• Compound Name: sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine
• PubChem CID: 143970806
• Molecular Formula: C33H44Cl2N3NaO4
• Molecular Weight: 640.63 g/mol
• Exact Mass: 639.26
• IUPAC Name: sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine
• SMILES: C=O.CC(C)C(c1ccc(CCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2.CN.[Na+]
• InChI: InChI=1S/C31H38Cl2N2O3.CH5N.CH2O.Na/c1-19(2)28(21-9-6-20(7-10-21)8-11-26(36)37)35-29(38)27(22-16-24(32)18-25(33)17-22)34-31(35)14-12-23(13-15-31)30(3,4)5;2*1-2;/h6-7,9-10,16-19,23,28H,8,11-15H2,1-5H3,(H,36,37);2H2,1H3;1H2;/q;;;+1/p-1
• InChIKey: GNHIPIWGBKVQRO-UHFFFAOYSA-M
• XLogP: 3.03
• TPSA: 115.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.63
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine?

The IUPAC name of sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine (CID 143970806) is sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine.

What is the SMILES notation for sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine?

The canonical SMILES for sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine is C=O.CC(C)C(c1ccc(CCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2.CN.[Na+].

What is the InChIKey of sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine?

The InChIKey is GNHIPIWGBKVQRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H38Cl2N2O3.CH5N.CH2O.Na/c1-19(2)28(21-9-6-20(7-10-21)8-11-26(36)37)35-29(38)27(22-16-24(32)18-25(33)17-22)34-31(35)14-12-23(13-15-31)30(3,4)5;2*1-2;/h6-7,9-10,16-19,23,28H,8,11-15H2,1-5H3,(H,36,37);2H2,1H3;1H2;/q;;;+1/p-1.

What are the key properties of sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine?

sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine has a molecular weight of 640.63 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[4-[1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-2-methylpropyl]phenyl]propanoate;formaldehyde;methanamine is sourced from PubChem (CID 143970806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).