tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate

C24H27N3O4 — CID 102451331

IUPACtert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
SMILESCOc1ccc2c(c1)[C@@](NC(=O)OC(C)(C)C)(c1cn(C)c3ccccc13)C(=O)N2C
InChIInChI=1S/C24H27N3O4/c1-23(2,3)31-22(29)25-24(18-14-26(4)19-10-8-7-9-16(18)19)17-13-15(30-6)11-12-20(17)27(5)21(24)28/h7-14H,1-6H3,(H,25,29)/t24-/m1/s1
InChIKeyHZLNDPZUJKFFLH-XMMPIXPASA-N
MW421.50 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate

tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate (PubChem CID 102451331) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
PubChem CID102451331
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nametert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
SMILESCOc1ccc2c(c1)[C@@](NC(=O)OC(C)(C)C)(c1cn(C)c3ccccc13)C(=O)N2C
InChIInChI=1S/C24H27N3O4/c1-23(2,3)31-22(29)25-24(18-14-26(4)19-10-8-7-9-16(18)19)17-13-15(30-6)11-12-20(17)27(5)21(24)28/h7-14H,1-6H3,(H,25,29)/t24-/m1/s1
InChIKeyHZLNDPZUJKFFLH-XMMPIXPASA-N
XLogP3.93
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
CID 102451333
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
(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
CID 164672152
tert-butyl N-[3-(3-acetylphenyl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
CID 132531168
N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
CID 171636455
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
tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 15488102
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 N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate
CID 132512143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate (CID 102451331) is tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate is COc1ccc2c(c1)[C@@](NC(=O)OC(C)(C)C)(c1cn(C)c3ccccc13)C(=O)N2C.
What is the InChIKey of tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate?
The InChIKey is HZLNDPZUJKFFLH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O4/c1-23(2,3)31-22(29)25-24(18-14-26(4)19-10-8-7-9-16(18)19)17-13-15(30-6)11-12-20(17)27(5)21(24)28/h7-14H,1-6H3,(H,25,29)/t24-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate?
tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.93, 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)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate is sourced from PubChem (CID 102451331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).