tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate

C24H24F3N3O4 — CID 102451333

IUPACtert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
SMILESCN1C(=O)[C@](NC(=O)OC(C)(C)C)(c2cn(C)c3ccccc23)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C24H24F3N3O4/c1-22(2,3)34-21(32)28-23(17-13-29(4)18-9-7-6-8-15(17)18)16-12-14(33-24(25,26)27)10-11-19(16)30(5)20(23)31/h6-13H,1-5H3,(H,28,32)/t23-/m1/s1
InChIKeyFUBWSZQTICJGBE-HSZRJFAPSA-N
MW475.47 g/mol
LogP4.82
Rot. Bonds3

About tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate

tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate (PubChem CID 102451333) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
PubChem CID102451333
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Nametert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
SMILESCN1C(=O)[C@](NC(=O)OC(C)(C)C)(c2cn(C)c3ccccc23)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C24H24F3N3O4/c1-22(2,3)34-21(32)28-23(17-13-29(4)18-9-7-6-8-15(17)18)16-12-14(33-24(25,26)27)10-11-19(16)30(5)20(23)31/h6-13H,1-5H3,(H,28,32)/t23-/m1/s1
InChIKeyFUBWSZQTICJGBE-HSZRJFAPSA-N
XLogP4.82
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451331
tert-butyl N-[(3S)-5-bromo-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451334
tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
CID 134849816
tert-butyl N-[3-(3-acetylphenyl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
CID 132531168
(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one
CID 177445570
tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
CID 102500658
tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
CID 107236890
tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
CID 134850609
(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
CID 164672152
tert-butyl N-(5-chloro-3-cyano-1-methyl-2-oxoindol-3-yl)carbamate
CID 102430954
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
CID 102106113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate (CID 102451333) is tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate is CN1C(=O)[C@](NC(=O)OC(C)(C)C)(c2cn(C)c3ccccc23)c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate?
The InChIKey is FUBWSZQTICJGBE-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-22(2,3)34-21(32)28-23(17-13-29(4)18-9-7-6-8-15(17)18)16-12-14(33-24(25,26)27)10-11-19(16)30(5)20(23)31/h6-13H,1-5H3,(H,28,32)/t23-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate?
tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate has a molecular weight of 475.47 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate is sourced from PubChem (CID 102451333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).