4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide

C24H27F3N4O6 — CID 172884750

IUPAC4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCOC3(CN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CCCO3)C2)c1
InChIInChI=1S/C24H27F3N4O6/c1-34-20-5-2-4-18(14-20)29-22(33)31-11-13-36-23(16-31)15-30(10-3-12-35-23)21(32)28-17-6-8-19(9-7-17)37-24(25,26)27/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyVCPWQRGWEJHGRY-UHFFFAOYSA-N
MW524.50 g/mol
LogP4.11
Rot. Bonds4

About 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide

4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide (PubChem CID 172884750) has the molecular formula C24H27F3N4O6 and a molecular weight of 524.50 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
PubChem CID172884750
Molecular FormulaC24H27F3N4O6
Molecular Weight524.50 g/mol
Exact Mass524.19
IUPAC Name4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCOC3(CN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CCCO3)C2)c1
InChIInChI=1S/C24H27F3N4O6/c1-34-20-5-2-4-18(14-20)29-22(33)31-11-13-36-23(16-31)15-30(10-3-12-35-23)21(32)28-17-6-8-19(9-7-17)37-24(25,26)27/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyVCPWQRGWEJHGRY-UHFFFAOYSA-N
XLogP4.11
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884683
4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884472
N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 118771507
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
N-(3,4-difluorophenyl)-4-(2-fluorobenzoyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884644
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318572
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
The IUPAC name of 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide (CID 172884750) is 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
The canonical SMILES for 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide is COc1cccc(NC(=O)N2CCOC3(CN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CCCO3)C2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
The InChIKey is VCPWQRGWEJHGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O6/c1-34-20-5-2-4-18(14-20)29-22(33)31-11-13-36-23(16-31)15-30(10-3-12-35-23)21(32)28-17-6-8-19(9-7-17)37-24(25,26)27/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide?
4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide has a molecular weight of 524.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide is sourced from PubChem (CID 172884750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).