tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate

C23H32N2O5 — CID 147975531

IUPACtert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate
SMILESCC(C)Oc1ccc(C2CCC3(CC2)C(=O)N(C(=O)OC(C)(C)C)C(=O)N3C)cc1
InChIInChI=1S/C23H32N2O5/c1-15(2)29-18-9-7-16(8-10-18)17-11-13-23(14-12-17)19(26)25(20(27)24(23)6)21(28)30-22(3,4)5/h7-10,15,17H,11-14H2,1-6H3
InChIKeyISEURWZYVVXLME-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.70
Rot. Bonds3

About tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate

tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate (PubChem CID 147975531) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate
PubChem CID147975531
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Nametert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate
SMILESCC(C)Oc1ccc(C2CCC3(CC2)C(=O)N(C(=O)OC(C)(C)C)C(=O)N3C)cc1
InChIInChI=1S/C23H32N2O5/c1-15(2)29-18-9-7-16(8-10-18)17-11-13-23(14-12-17)19(26)25(20(27)24(23)6)21(28)30-22(3,4)5/h7-10,15,17H,11-14H2,1-6H3
InChIKeyISEURWZYVVXLME-UHFFFAOYSA-N
XLogP4.70
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate?
The IUPAC name of tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate (CID 147975531) is tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate is CC(C)Oc1ccc(C2CCC3(CC2)C(=O)N(C(=O)OC(C)(C)C)C(=O)N3C)cc1.
What is the InChIKey of tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate?
The InChIKey is ISEURWZYVVXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-15(2)29-18-9-7-16(8-10-18)17-11-13-23(14-12-17)19(26)25(20(27)24(23)6)21(28)30-22(3,4)5/h7-10,15,17H,11-14H2,1-6H3.
What are the key properties of tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate?
tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-2,4-dioxo-8-(4-propan-2-yloxyphenyl)-1,3-diazaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 147975531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).