tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate

C22H26N2O3 — CID 134849816

IUPACtert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
SMILESCc1ccc2c(c1)C(NC(=O)OC(C)(C)C)(c1ccccc1C)C(=O)N2C
InChIInChI=1S/C22H26N2O3/c1-14-11-12-18-17(13-14)22(19(25)24(18)6,16-10-8-7-9-15(16)2)23-20(26)27-21(3,4)5/h7-13H,1-6H3,(H,23,26)
InChIKeyIEUHZTVYSQAHCS-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate

tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate (PubChem CID 134849816) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
PubChem CID134849816
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
SMILESCc1ccc2c(c1)C(NC(=O)OC(C)(C)C)(c1ccccc1C)C(=O)N2C
InChIInChI=1S/C22H26N2O3/c1-14-11-12-18-17(13-14)22(19(25)24(18)6,16-10-8-7-9-15(16)2)23-20(26)27-21(3,4)5/h7-13H,1-6H3,(H,23,26)
InChIKeyIEUHZTVYSQAHCS-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(3R)-1,5-dimethyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate
CID 102127850
tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451331
tert-butyl N-[3-(3-acetylphenyl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
CID 132531168
tert-butyl N-[(3S)-1-methyl-3-(1-methylindol-3-yl)-2-oxo-5-(trifluoromethoxy)indol-3-yl]carbamate
CID 102451333
N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide
CID 57380401
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
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 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
CID 102228684
CID 102228684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate (CID 134849816) is tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate is Cc1ccc2c(c1)C(NC(=O)OC(C)(C)C)(c1ccccc1C)C(=O)N2C.
What is the InChIKey of tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate?
The InChIKey is IEUHZTVYSQAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-11-12-18-17(13-14)22(19(25)24(18)6,16-10-8-7-9-15(16)2)23-20(26)27-21(3,4)5/h7-13H,1-6H3,(H,23,26).
What are the key properties of tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate?
tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate is sourced from PubChem (CID 134849816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).