4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride

C102H129ClF9N7O13 — CID 157259994

IUPAC4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccccc1.CC(C)(C)CCCC(=O)c1ccc(CN2C(=O)C(c3cccc(C(F)(F)F)c3)=NC23CCC(C(C)(C)C)CC3)cc1.CC(C)(C)OC(=O)CCN.CCCC(=O)c1ccc(CN2C(=O)C(c3cccc(C(F)(F)F)c3)=NC23CCC(C(C)(C)C)CC3)cc1.Cl.O=C=O.O=C=O.O=C=O.[2H]CC
InChIInChI=1S/C34H43F3N2O2.C30H35F3N2O2.C26H29F3N2O.C7H15NO2.C2H6.3CO2.ClH/c1-31(2,3)18-8-11-28(40)24-14-12-23(13-15-24)22-39-30(41)29(25-9-7-10-27(21-25)34(35,36)37)38-33(39)19-16-26(17-20-33)32(4,5)6;1-5-7-25(36)21-12-10-20(11-13-21)19-35-27(37)26(22-8-6-9-24(18-22)30(31,32)33)34-29(35)16-14-23(15-17-29)28(2,3)4;1-24(2,3)20-12-14-25(15-13-20)30-22(19-10-7-11-21(16-19)26(27,28)29)23(32)31(25)17-18-8-5-4-6-9-18;1-7(2,3)10-6(9)4-5-8;1-2;3*2-1-3;/h7,9-10,12-15,21,26H,8,11,16-20,22H2,1-6H3;6,8-13,18,23H,5,7,14-17,19H2,1-4H3;4-11,16,20H,12-15,17H2,1-3H3;4-5,8H2,1-3H3;1-2H3;;;;1H/i;;;;1D;;;;
InChIKeyNAWIEJWWPOKSCJ-HHVZCZSDSA-N
MW1868.63 g/mol
LogP23.16
Rot. Bonds18

About 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride

4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride (PubChem CID 157259994) has the molecular formula C102H129ClF9N7O13 and a molecular weight of 1868.63 g/mol. Its IUPAC name is 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride.

Molecular Properties

Compound Name4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride
PubChem CID157259994
Molecular FormulaC102H129ClF9N7O13
Molecular Weight1868.63 g/mol
Exact Mass1866.93
IUPAC Name4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccccc1.CC(C)(C)CCCC(=O)c1ccc(CN2C(=O)C(c3cccc(C(F)(F)F)c3)=NC23CCC(C(C)(C)C)CC3)cc1.CC(C)(C)OC(=O)CCN.CCCC(=O)c1ccc(CN2C(=O)C(c3cccc(C(F)(F)F)c3)=NC23CCC(C(C)(C)C)CC3)cc1.Cl.O=C=O.O=C=O.O=C=O.[2H]CC
InChIInChI=1S/C34H43F3N2O2.C30H35F3N2O2.C26H29F3N2O.C7H15NO2.C2H6.3CO2.ClH/c1-31(2,3)18-8-11-28(40)24-14-12-23(13-15-24)22-39-30(41)29(25-9-7-10-27(21-25)34(35,36)37)38-33(39)19-16-26(17-20-33)32(4,5)6;1-5-7-25(36)21-12-10-20(11-13-21)19-35-27(37)26(22-8-6-9-24(18-22)30(31,32)33)34-29(35)16-14-23(15-17-29)28(2,3)4;1-24(2,3)20-12-14-25(15-13-20)30-22(19-10-7-11-21(16-19)26(27,28)29)23(32)31(25)17-18-8-5-4-6-9-18;1-7(2,3)10-6(9)4-5-8;1-2;3*2-1-3;/h7,9-10,12-15,21,26H,8,11,16-20,22H2,1-6H3;6,8-13,18,23H,5,7,14-17,19H2,1-4H3;4-11,16,20H,12-15,17H2,1-3H3;4-5,8H2,1-3H3;1-2H3;;;;1H/i;;;;1D;;;;
InChIKeyNAWIEJWWPOKSCJ-HHVZCZSDSA-N
XLogP23.16
TPSA286.89 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.63
LogP ≤ 523.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride 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 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride?
The IUPAC name of 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride (CID 157259994) is 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride.
What is the SMILES notation for 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride?
The canonical SMILES for 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride is CC(C)(C)C1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccccc1.CC(C)(C)CCCC(=O)c1ccc(CN2C(=O)C(c3cccc(C(F)(F)F)c3)=NC23CCC(C(C)(C)C)CC3)cc1.CC(C)(C)OC(=O)CCN.CCCC(=O)c1ccc(CN2C(=O)C(c3cccc(C(F)(F)F)c3)=NC23CCC(C(C)(C)C)CC3)cc1.Cl.O=C=O.O=C=O.O=C=O.[2H]CC.
What is the InChIKey of 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride?
The InChIKey is NAWIEJWWPOKSCJ-HHVZCZSDSA-N. The full InChI is InChI=1S/C34H43F3N2O2.C30H35F3N2O2.C26H29F3N2O.C7H15NO2.C2H6.3CO2.ClH/c1-31(2,3)18-8-11-28(40)24-14-12-23(13-15-24)22-39-30(41)29(25-9-7-10-27(21-25)34(35,36)37)38-33(39)19-16-26(17-20-33)32(4,5)6;1-5-7-25(36)21-12-10-20(11-13-21)19-35-27(37)26(22-8-6-9-24(18-22)30(31,32)33)34-29(35)16-14-23(15-17-29)28(2,3)4;1-24(2,3)20-12-14-25(15-13-20)30-22(19-10-7-11-21(16-19)26(27,28)29)23(32)31(25)17-18-8-5-4-6-9-18;1-7(2,3)10-6(9)4-5-8;1-2;3*2-1-3;/h7,9-10,12-15,21,26H,8,11,16-20,22H2,1-6H3;6,8-13,18,23H,5,7,14-17,19H2,1-4H3;4-11,16,20H,12-15,17H2,1-3H3;4-5,8H2,1-3H3;1-2H3;;;;1H/i;;;;1D;;;;.
What are the key properties of 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride?
4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride has a molecular weight of 1868.63 g/mol, XLogP of 23.16, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;4-[(4-butanoylphenyl)methyl]-8-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tert-butyl 3-aminopropanoate;8-tert-butyl-4-[[4-(5,5-dimethylhexanoyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one;tris(carbon dioxide);deuterioethane;hydrochloride is sourced from PubChem (CID 157259994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).