1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one

C20H31F3N2O6 — CID 71037494

IUPAC1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(C1)O[C@@](C)(O)C1(CN(C(=O)C(C)(C)C)C1)O[C@@]2(O)C(F)(F)F
InChIInChI=1S/C20H31F3N2O6/c1-14(2,3)12(26)24-8-17(9-24)16(7,28)30-18(19(29,31-17)20(21,22)23)10-25(11-18)13(27)15(4,5)6/h28-29H,8-11H2,1-7H3/t16-,19-/m1/s1
InChIKeyYBFUFDISYKBPOV-VQIMIIECSA-N
MW452.47 g/mol
LogP1.25
Rot. Bonds

About 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one

1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 71037494) has the molecular formula C20H31F3N2O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one
PubChem CID71037494
Molecular FormulaC20H31F3N2O6
Molecular Weight452.47 g/mol
Exact Mass452.21
IUPAC Name1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(C1)O[C@@](C)(O)C1(CN(C(=O)C(C)(C)C)C1)O[C@@]2(O)C(F)(F)F
InChIInChI=1S/C20H31F3N2O6/c1-14(2,3)12(26)24-8-17(9-24)16(7,28)30-18(19(29,31-17)20(21,22)23)10-25(11-18)13(27)15(4,5)6/h28-29H,8-11H2,1-7H3/t16-,19-/m1/s1
InChIKeyYBFUFDISYKBPOV-VQIMIIECSA-N
XLogP1.25
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one (CID 71037494) is 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2(C1)O[C@@](C)(O)C1(CN(C(=O)C(C)(C)C)C1)O[C@@]2(O)C(F)(F)F.
What is the InChIKey of 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is YBFUFDISYKBPOV-VQIMIIECSA-N. The full InChI is InChI=1S/C20H31F3N2O6/c1-14(2,3)12(26)24-8-17(9-24)16(7,28)30-18(19(29,31-17)20(21,22)23)10-25(11-18)13(27)15(4,5)6/h28-29H,8-11H2,1-7H3/t16-,19-/m1/s1.
What are the key properties of 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one?
1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 452.47 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,11R)-9-(2,2-dimethylpropanoyl)-5,11-dihydroxy-5-methyl-11-(trifluoromethyl)-6,12-dioxa-2,9-diazadispiro[3.2.37.24]dodecan-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 71037494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).