(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H23F3N2O2 — CID 7830866

IUPAC(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C19H23F3N2O2/c1-12-8-17(2,3)11-18(9-12)15(25)24(16(26)23-18)10-13-5-4-6-14(7-13)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,26)/t12-,18+/m0/s1
InChIKeyVJBOOJURUIVOAL-KPZWWZAWSA-N
MW368.40 g/mol
LogP4.34
Rot. Bonds2

About (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7830866) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7830866
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C19H23F3N2O2/c1-12-8-17(2,3)11-18(9-12)15(25)24(16(26)23-18)10-13-5-4-6-14(7-13)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,26)/t12-,18+/m0/s1
InChIKeyVJBOOJURUIVOAL-KPZWWZAWSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7962016
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
3-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46663950
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41236325
N-(2-methyl-2-phenylpropyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55612692
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55579678
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43068400

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7830866) is (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O.
What is the InChIKey of (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VJBOOJURUIVOAL-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-12-8-17(2,3)11-18(9-12)15(25)24(16(26)23-18)10-13-5-4-6-14(7-13)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,26)/t12-,18+/m0/s1.
What are the key properties of (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 368.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7830866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).