tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

C17H25NO2 — CID 142303011

IUPACtert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCc1cc(C)c2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H25NO2/c1-11-9-12(2)13-7-8-15(14(13)10-11)18(6)16(19)20-17(3,4)5/h9-10,15H,7-8H2,1-6H3
InChIKeyCGNPGYYMVIDEBI-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.16
Rot. Bonds1

About tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (PubChem CID 142303011) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
PubChem CID142303011
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCc1cc(C)c2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H25NO2/c1-11-9-12(2)13-7-8-15(14(13)10-11)18(6)16(19)20-17(3,4)5/h9-10,15H,7-8H2,1-6H3
InChIKeyCGNPGYYMVIDEBI-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (CID 142303011) is tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is Cc1cc(C)c2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The InChIKey is CGNPGYYMVIDEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-9-12(2)13-7-8-15(14(13)10-11)18(6)16(19)20-17(3,4)5/h9-10,15H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is sourced from PubChem (CID 142303011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).