(4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

C17H20F3N3O3 — CID 146066152

IUPAC(4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CN(Cc2ccccc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C17H20F3N3O3/c18-17(19,20)10-22-14(24)13-9-23(8-12-4-2-1-3-5-12)11-16(13)15(25)21-6-7-26-16/h1-5,13H,6-11H2,(H,21,25)(H,22,24)/t13-,16-/m1/s1
InChIKeyNOUMHZGIBMXJGN-CZUORRHYSA-N
MW371.36 g/mol
LogP0.68
Rot. Bonds4

About (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

(4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (PubChem CID 146066152) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
PubChem CID146066152
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name(4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CN(Cc2ccccc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C17H20F3N3O3/c18-17(19,20)10-22-14(24)13-9-23(8-12-4-2-1-3-5-12)11-16(13)15(25)21-6-7-26-16/h1-5,13H,6-11H2,(H,21,25)(H,22,24)/t13-,16-/m1/s1
InChIKeyNOUMHZGIBMXJGN-CZUORRHYSA-N
XLogP0.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (CID 146066152) is (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is O=C(NCC(F)(F)F)[C@H]1CN(Cc2ccccc2)C[C@@]12OCCNC2=O.
What is the InChIKey of (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The InChIKey is NOUMHZGIBMXJGN-CZUORRHYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c18-17(19,20)10-22-14(24)13-9-23(8-12-4-2-1-3-5-12)11-16(13)15(25)21-6-7-26-16/h1-5,13H,6-11H2,(H,21,25)(H,22,24)/t13-,16-/m1/s1.
What are the key properties of (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
(4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-benzyl-10-oxo-N-(2,2,2-trifluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 146066152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).