tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane

C50H58Cl4N6O8 — CID 159585166

IUPACtert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane
SMILESCOc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)C3(CCN(C(=O)OC(C)(C)C)C3)C2=O)cc1.COc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)C3(CCNC3)C2=O)cc1.ClCCl
InChIInChI=1S/C27H32ClN3O5.C22H24ClN3O3.CH2Cl2/c1-26(2,3)36-25(34)29-14-13-27(18-29)24(33)30(15-19-7-11-22(35-4)12-8-19)17-23(32)31(27)16-20-5-9-21(28)10-6-20;1-29-19-8-4-16(5-9-19)12-25-14-20(27)26(13-17-2-6-18(23)7-3-17)22(21(25)28)10-11-24-15-22;2-1-3/h5-12H,13-18H2,1-4H3;2-9,24H,10-15H2,1H3;1H2
InChIKeyMJNGLTUSYJOARB-UHFFFAOYSA-N
MW1012.86 g/mol
LogP7.97
Rot. Bonds10

About tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane

tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane (PubChem CID 159585166) has the molecular formula C50H58Cl4N6O8 and a molecular weight of 1012.86 g/mol. Its IUPAC name is tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane.

Molecular Properties

Compound Nametert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane
PubChem CID159585166
Molecular FormulaC50H58Cl4N6O8
Molecular Weight1012.86 g/mol
Exact Mass1010.31
IUPAC Nametert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane
SMILESCOc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)C3(CCN(C(=O)OC(C)(C)C)C3)C2=O)cc1.COc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)C3(CCNC3)C2=O)cc1.ClCCl
InChIInChI=1S/C27H32ClN3O5.C22H24ClN3O3.CH2Cl2/c1-26(2,3)36-25(34)29-14-13-27(18-29)24(33)30(15-19-7-11-22(35-4)12-8-19)17-23(32)31(27)16-20-5-9-21(28)10-6-20;1-29-19-8-4-16(5-9-19)12-25-14-20(27)26(13-17-2-6-18(23)7-3-17)22(21(25)28)10-11-24-15-22;2-1-3/h5-12H,13-18H2,1-4H3;2-9,24H,10-15H2,1H3;1H2
InChIKeyMJNGLTUSYJOARB-UHFFFAOYSA-N
XLogP7.97
TPSA141.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.86
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane?
The IUPAC name of tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane (CID 159585166) is tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane.
What is the SMILES notation for tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane?
The canonical SMILES for tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane is COc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)C3(CCN(C(=O)OC(C)(C)C)C3)C2=O)cc1.COc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)C3(CCNC3)C2=O)cc1.ClCCl.
What is the InChIKey of tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane?
The InChIKey is MJNGLTUSYJOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O5.C22H24ClN3O3.CH2Cl2/c1-26(2,3)36-25(34)29-14-13-27(18-29)24(33)30(15-19-7-11-22(35-4)12-8-19)17-23(32)31(27)16-20-5-9-21(28)10-6-20;1-29-19-8-4-16(5-9-19)12-25-14-20(27)26(13-17-2-6-18(23)7-3-17)22(21(25)28)10-11-24-15-22;2-1-3/h5-12H,13-18H2,1-4H3;2-9,24H,10-15H2,1H3;1H2.
What are the key properties of tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane?
tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane has a molecular weight of 1012.86 g/mol, XLogP of 7.97, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane is sourced from PubChem (CID 159585166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).