8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate

C23H34N2O4 — CID 126844714

IUPAC8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C23H34N2O4/c1-5-28-20(26)19-16-24(15-18-9-7-6-8-10-18)17-23(19)11-13-25(14-12-23)21(27)29-22(2,3)4/h6-10,19H,5,11-17H2,1-4H3
InChIKeyHXIYZDNGGAWQGG-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.70
Rot. Bonds4

About 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate

8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate (PubChem CID 126844714) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate
PubChem CID126844714
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C23H34N2O4/c1-5-28-20(26)19-16-24(15-18-9-7-6-8-10-18)17-23(19)11-13-25(14-12-23)21(27)29-22(2,3)4/h6-10,19H,5,11-17H2,1-4H3
InChIKeyHXIYZDNGGAWQGG-UHFFFAOYSA-N
XLogP3.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate (CID 126844714) is 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate is CCOC(=O)C1CN(Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The InChIKey is HXIYZDNGGAWQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-5-28-20(26)19-16-24(15-18-9-7-6-8-10-18)17-23(19)11-13-25(14-12-23)21(27)29-22(2,3)4/h6-10,19H,5,11-17H2,1-4H3.
What are the key properties of 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 4-O-ethyl 2-benzyl-2,8-diazaspiro[4.5]decane-4,8-dicarboxylate is sourced from PubChem (CID 126844714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).