tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate

C15H22N2O3 — CID 117274565

IUPACtert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2c1CC(C)N2
InChIInChI=1S/C15H22N2O3/c1-9-8-10-11(16-9)6-7-12(13(10)19-5)17-14(18)20-15(2,3)4/h6-7,9,16H,8H2,1-5H3,(H,17,18)
InChIKeyIITJOARJHVMHLA-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate

tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate (PubChem CID 117274565) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
PubChem CID117274565
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2c1CC(C)N2
InChIInChI=1S/C15H22N2O3/c1-9-8-10-11(16-9)6-7-12(13(10)19-5)17-14(18)20-15(2,3)4/h6-7,9,16H,8H2,1-5H3,(H,17,18)
InChIKeyIITJOARJHVMHLA-UHFFFAOYSA-N
XLogP3.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate (CID 117274565) is tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate is COc1c(NC(=O)OC(C)(C)C)ccc2c1CC(C)N2.
What is the InChIKey of tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The InChIKey is IITJOARJHVMHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-8-10-11(16-9)6-7-12(13(10)19-5)17-14(18)20-15(2,3)4/h6-7,9,16H,8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate is sourced from PubChem (CID 117274565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).