(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone

C108H126F6N8O14 — CID 158639708

IUPAC(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3OC)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(OC)cc3C(F)(F)F)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)C1
InChIInChI=1S/2C28H33N3O3.2C26H30F3NO4/c1-3-33-23-18-26(22-12-8-5-9-13-22)34-28(20-23)14-16-31(17-15-28)27(32)24-19-25(30(2)29-24)21-10-6-4-7-11-21;1-3-33-24-18-26(22-10-6-4-7-11-22)34-28(19-24)14-16-30(17-15-28)27(32)25-20-29-31(21(25)2)23-12-8-5-9-13-23;1-3-33-20-16-22(18-7-5-4-6-8-18)34-25(17-20)11-13-30(14-12-25)24(31)21-10-9-19(26(27,28)29)15-23(21)32-2;1-3-33-20-16-23(18-7-5-4-6-8-18)34-25(17-20)11-13-30(14-12-25)24(31)21-10-9-19(32-2)15-22(21)26(27,28)29/h4-13,19,23,26H,3,14-18,20H2,1-2H3;4-13,20,24,26H,3,14-19H2,1-2H3;4-10,15,20,22H,3,11-14,16-17H2,1-2H3;4-10,15,20,23H,3,11-14,16-17H2,1-2H3
InChIKeyIAFMHZIKNJEJMN-UHFFFAOYSA-N
MW1874.23 g/mol
LogP21.42
Rot. Bonds20

About (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 158639708) has the molecular formula C108H126F6N8O14 and a molecular weight of 1874.23 g/mol. Its IUPAC name is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID158639708
Molecular FormulaC108H126F6N8O14
Molecular Weight1874.23 g/mol
Exact Mass1872.93
IUPAC Name(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3OC)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(OC)cc3C(F)(F)F)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)C1
InChIInChI=1S/2C28H33N3O3.2C26H30F3NO4/c1-3-33-23-18-26(22-12-8-5-9-13-22)34-28(20-23)14-16-31(17-15-28)27(32)24-19-25(30(2)29-24)21-10-6-4-7-11-21;1-3-33-24-18-26(22-10-6-4-7-11-22)34-28(19-24)14-16-30(17-15-28)27(32)25-20-29-31(21(25)2)23-12-8-5-9-13-23;1-3-33-20-16-22(18-7-5-4-6-8-18)34-25(17-20)11-13-30(14-12-25)24(31)21-10-9-19(26(27,28)29)15-23(21)32-2;1-3-33-20-16-23(18-7-5-4-6-8-18)34-25(17-20)11-13-30(14-12-25)24(31)21-10-9-19(32-2)15-22(21)26(27,28)29/h4-13,19,23,26H,3,14-18,20H2,1-2H3;4-13,20,24,26H,3,14-19H2,1-2H3;4-10,15,20,22H,3,11-14,16-17H2,1-2H3;4-10,15,20,23H,3,11-14,16-17H2,1-2H3
InChIKeyIAFMHZIKNJEJMN-UHFFFAOYSA-N
XLogP21.42
TPSA209.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.23
LogP ≤ 521.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 158639708) is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone is CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3OC)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(OC)cc3C(F)(F)F)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)C1.
What is the InChIKey of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is IAFMHZIKNJEJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H33N3O3.2C26H30F3NO4/c1-3-33-23-18-26(22-12-8-5-9-13-22)34-28(20-23)14-16-31(17-15-28)27(32)24-19-25(30(2)29-24)21-10-6-4-7-11-21;1-3-33-24-18-26(22-10-6-4-7-11-22)34-28(19-24)14-16-30(17-15-28)27(32)25-20-29-31(21(25)2)23-12-8-5-9-13-23;1-3-33-20-16-22(18-7-5-4-6-8-18)34-25(17-20)11-13-30(14-12-25)24(31)21-10-9-19(26(27,28)29)15-23(21)32-2;1-3-33-20-16-23(18-7-5-4-6-8-18)34-25(17-20)11-13-30(14-12-25)24(31)21-10-9-19(32-2)15-22(21)26(27,28)29/h4-13,19,23,26H,3,14-18,20H2,1-2H3;4-13,20,24,26H,3,14-19H2,1-2H3;4-10,15,20,22H,3,11-14,16-17H2,1-2H3;4-10,15,20,23H,3,11-14,16-17H2,1-2H3.
What are the key properties of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 1874.23 g/mol, XLogP of 21.42, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-5-phenylpyrazol-3-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 158639708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).