tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate

C24H23F3N2O5 — CID 138963916

IUPACtert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate
SMILESCN1C(=O)[C@]2(OC(=O)[C@H](c3ccccc3NC(=O)OC(C)(C)C)[C@H]2C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H23F3N2O5/c1-22(2,3)34-21(32)28-15-11-7-5-9-13(15)17-18(24(25,26)27)23(33-19(17)30)14-10-6-8-12-16(14)29(4)20(23)31/h5-12,17-18H,1-4H3,(H,28,32)/t17-,18-,23+/m1/s1
InChIKeyZOFBNCQZLLSJBJ-PNCHPQGNSA-N
MW476.45 g/mol
LogP4.72
Rot. Bonds2

About tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate

tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate (PubChem CID 138963916) has the molecular formula C24H23F3N2O5 and a molecular weight of 476.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate
PubChem CID138963916
Molecular FormulaC24H23F3N2O5
Molecular Weight476.45 g/mol
Exact Mass476.16
IUPAC Nametert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate
SMILESCN1C(=O)[C@]2(OC(=O)[C@H](c3ccccc3NC(=O)OC(C)(C)C)[C@H]2C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H23F3N2O5/c1-22(2,3)34-21(32)28-15-11-7-5-9-13(15)17-18(24(25,26)27)23(33-19(17)30)14-10-6-8-12-16(14)29(4)20(23)31/h5-12,17-18H,1-4H3,(H,28,32)/t17-,18-,23+/m1/s1
InChIKeyZOFBNCQZLLSJBJ-PNCHPQGNSA-N
XLogP4.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate 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 tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate (CID 138963916) is tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate is CN1C(=O)[C@]2(OC(=O)[C@H](c3ccccc3NC(=O)OC(C)(C)C)[C@H]2C(F)(F)F)c2ccccc21.
What is the InChIKey of tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate?
The InChIKey is ZOFBNCQZLLSJBJ-PNCHPQGNSA-N. The full InChI is InChI=1S/C24H23F3N2O5/c1-22(2,3)34-21(32)28-15-11-7-5-9-13(15)17-18(24(25,26)27)23(33-19(17)30)14-10-6-8-12-16(14)29(4)20(23)31/h5-12,17-18H,1-4H3,(H,28,32)/t17-,18-,23+/m1/s1.
What are the key properties of tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate?
tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate has a molecular weight of 476.45 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3R,3'S,4'R)-1-methyl-2,2'-dioxo-4'-(trifluoromethyl)spiro[indole-3,5'-oxolane]-3'-yl]phenyl]carbamate is sourced from PubChem (CID 138963916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).