tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate

C22H23N3O3 — CID 71658099

IUPACtert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
SMILESCc1ccc2c(c1)[C@](C#N)(NC(=O)OC(C)(C)C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-15-10-11-18-17(12-15)22(14-23,24-20(27)28-21(2,3)4)19(26)25(18)13-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,24,27)/t22-/m0/s1
InChIKeyIUOBXBCWNTVVHF-QFIPXVFZSA-N
MW377.44 g/mol
LogP3.79
Rot. Bonds3

About tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate

tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate (PubChem CID 71658099) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
PubChem CID71658099
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nametert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
SMILESCc1ccc2c(c1)[C@](C#N)(NC(=O)OC(C)(C)C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-15-10-11-18-17(12-15)22(14-23,24-20(27)28-21(2,3)4)19(26)25(18)13-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,24,27)/t22-/m0/s1
InChIKeyIUOBXBCWNTVVHF-QFIPXVFZSA-N
XLogP3.79
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 132544016
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tert-butyl N-(5-chloro-3-cyano-1-methyl-2-oxoindol-3-yl)carbamate
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2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
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tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
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tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
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1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
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tert-butyl N-[(3R)-1-benzyl-3-[(7-chloro-3-cyano-2-oxochromen-4-yl)methyl]-2-oxoindol-3-yl]carbamate
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tert-butyl N-[(3R)-1-benzyl-3-[(6-chloro-3-cyano-2-oxochromen-4-yl)methyl]-2-oxoindol-3-yl]carbamate
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tert-butyl N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
CID 97489697
tert-butyl N-[1-benzyl-3-(3-ethyl-2-oxo-1-benzofuran-3-yl)-2-oxoindol-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate (CID 71658099) is tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate is Cc1ccc2c(c1)[C@](C#N)(NC(=O)OC(C)(C)C)C(=O)N2Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate?
The InChIKey is IUOBXBCWNTVVHF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-10-11-18-17(12-15)22(14-23,24-20(27)28-21(2,3)4)19(26)25(18)13-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,24,27)/t22-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate?
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate is sourced from PubChem (CID 71658099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).