tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate

C18H24N2O5 — CID 153489870

IUPACtert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)C2
InChIInChI=1S/C18H24N2O5/c1-17(2,3)24-15(22)19-12-8-7-11-9-14(21)20(13(11)10-12)16(23)25-18(4,5)6/h7-8,10H,9H2,1-6H3,(H,19,22)
InChIKeyTVTOYLAMUCRESF-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.86
Rot. Bonds1

About tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate

tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate (PubChem CID 153489870) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
PubChem CID153489870
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)C2
InChIInChI=1S/C18H24N2O5/c1-17(2,3)24-15(22)19-12-8-7-11-9-14(21)20(13(11)10-12)16(23)25-18(4,5)6/h7-8,10H,9H2,1-6H3,(H,19,22)
InChIKeyTVTOYLAMUCRESF-UHFFFAOYSA-N
XLogP3.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-bromo-2-oxo-3H-indole-1-carboxylate
CID 58154275
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl 5-hydroxy-2-oxo-3H-indole-1-carboxylate
CID 155928671
tert-butyl 1,1-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoisoindole-2-carboxylate
CID 168993651
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207
tert-butyl N-(7-acetyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)carbamate
CID 168876766
tert-butyl N-[3-(2,5-dioxopyrrolidin-1-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 142691439
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate?
The IUPAC name of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate (CID 153489870) is tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate is CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)C2.
What is the InChIKey of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate?
The InChIKey is TVTOYLAMUCRESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-17(2,3)24-15(22)19-12-8-7-11-9-14(21)20(13(11)10-12)16(23)25-18(4,5)6/h7-8,10H,9H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate?
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate is sourced from PubChem (CID 153489870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).