tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate

C24H24BrN3O5 — CID 134850609

IUPACtert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
SMILESCC(=O)N1c2ccccc2C(=O)C1[C@]1(NC(=O)OC(C)(C)C)C(=O)N(C)c2ccc(Br)cc21
InChIInChI=1S/C24H24BrN3O5/c1-13(29)28-17-9-7-6-8-15(17)19(30)20(28)24(26-22(32)33-23(2,3)4)16-12-14(25)10-11-18(16)27(5)21(24)31/h6-12,20H,1-5H3,(H,26,32)/t20?,24-/m0/s1
InChIKeyAQLZNLNPVBFYQX-JWIMYKKASA-N
MW514.38 g/mol
LogP3.76
Rot. Bonds2

About tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate

tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate (PubChem CID 134850609) has the molecular formula C24H24BrN3O5 and a molecular weight of 514.38 g/mol. Its IUPAC name is tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
PubChem CID134850609
Molecular FormulaC24H24BrN3O5
Molecular Weight514.38 g/mol
Exact Mass513.09
IUPAC Nametert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
SMILESCC(=O)N1c2ccccc2C(=O)C1[C@]1(NC(=O)OC(C)(C)C)C(=O)N(C)c2ccc(Br)cc21
InChIInChI=1S/C24H24BrN3O5/c1-13(29)28-17-9-7-6-8-15(17)19(30)20(28)24(26-22(32)33-23(2,3)4)16-12-14(25)10-11-18(16)27(5)21(24)31/h6-12,20H,1-5H3,(H,26,32)/t20?,24-/m0/s1
InChIKeyAQLZNLNPVBFYQX-JWIMYKKASA-N
XLogP3.76
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3S)-5-bromo-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451334
tert-butyl N-[3-(3-acetylphenyl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
CID 132531168
methyl 2-[5-bromo-1-methyl-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxoindol-3-yl]prop-2-enoate
CID 56958646
tert-butyl N-[(3S)-1-benzyl-5-bromo-3-hydroperoxy-2-oxoindol-3-yl]carbamate
CID 132821898
tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
CID 134849816
tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
CID 102451333
tert-butyl N-[1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate
CID 135027360
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
CID 102106113
tert-butyl (3S)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxo-4H-1-benzazepine-1-carboxylate
CID 70106836
tert-butyl N-(5-chloro-3-cyano-1-methyl-2-oxoindol-3-yl)carbamate
CID 102430954
tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
CID 102500658
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate (CID 134850609) is tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate is CC(=O)N1c2ccccc2C(=O)C1[C@]1(NC(=O)OC(C)(C)C)C(=O)N(C)c2ccc(Br)cc21.
What is the InChIKey of tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate?
The InChIKey is AQLZNLNPVBFYQX-JWIMYKKASA-N. The full InChI is InChI=1S/C24H24BrN3O5/c1-13(29)28-17-9-7-6-8-15(17)19(30)20(28)24(26-22(32)33-23(2,3)4)16-12-14(25)10-11-18(16)27(5)21(24)31/h6-12,20H,1-5H3,(H,26,32)/t20?,24-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate?
tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate has a molecular weight of 514.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-3-(1-acetyl-3-oxo-2H-indol-2-yl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate is sourced from PubChem (CID 134850609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).