9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C23H30F3N3O4 — CID 73213026

IUPAC9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
InChIKeyCUVABMIBYDVJPI-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.39
Rot. Bonds3

About 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 73213026) has the molecular formula C23H30F3N3O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID73213026
Molecular FormulaC23H30F3N3O4
Molecular Weight469.50 g/mol
Exact Mass469.22
IUPAC Name9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
InChIKeyCUVABMIBYDVJPI-UHFFFAOYSA-N
XLogP4.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 73213026) is 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is CUVABMIBYDVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31).
What are the key properties of 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 73213026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).