3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C24H28FN3O2 — CID 26005418

IUPAC3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCN(CN1C(=O)NC2(CCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-27(17-28-22(29)24(26-23(28)30)15-7-2-3-8-16-24)21(18-9-5-4-6-10-18)19-11-13-20(25)14-12-19/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeySKEDAISGZBGMIE-OAQYLSRUSA-N
MW409.51 g/mol
LogP4.45
Rot. Bonds5

About 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 26005418) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID26005418
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCN(CN1C(=O)NC2(CCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-27(17-28-22(29)24(26-23(28)30)15-7-2-3-8-16-24)21(18-9-5-4-6-10-18)19-11-13-20(25)14-12-19/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeySKEDAISGZBGMIE-OAQYLSRUSA-N
XLogP4.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 26005418) is 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CN(CN1C(=O)NC2(CCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is SKEDAISGZBGMIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-27(17-28-22(29)24(26-23(28)30)15-7-2-3-8-16-24)21(18-9-5-4-6-10-18)19-11-13-20(25)14-12-19/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,26,30)/t21-/m1/s1.
What are the key properties of 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 409.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 26005418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).