ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C22H25NO4 — CID 71613650

IUPACethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1[C@@H](c2ccccc2)CC2(C[C@@H]1c1ccccc1)OCCO2
InChIInChI=1S/C22H25NO4/c1-2-25-21(24)23-19(17-9-5-3-6-10-17)15-22(26-13-14-27-22)16-20(23)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3/t19-,20-/m1/s1
InChIKeyIYXDBILGVOHHPM-WOJBJXKFSA-N
MW367.45 g/mol
LogP4.46
Rot. Bonds3

About ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 71613650) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID71613650
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1[C@@H](c2ccccc2)CC2(C[C@@H]1c1ccccc1)OCCO2
InChIInChI=1S/C22H25NO4/c1-2-25-21(24)23-19(17-9-5-3-6-10-17)15-22(26-13-14-27-22)16-20(23)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3/t19-,20-/m1/s1
InChIKeyIYXDBILGVOHHPM-WOJBJXKFSA-N
XLogP4.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 71613650) is ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1[C@@H](c2ccccc2)CC2(C[C@@H]1c1ccccc1)OCCO2.
What is the InChIKey of ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is IYXDBILGVOHHPM-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-25-21(24)23-19(17-9-5-3-6-10-17)15-22(26-13-14-27-22)16-20(23)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71613650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).