tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate

C22H30N2O2 — CID 163239181

IUPACtert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate
SMILESCCc1cc2ccc(CN(CC34CC3(C)C4)C(=O)OC(C)(C)C)cn2c1
InChIInChI=1S/C22H30N2O2/c1-6-16-9-18-8-7-17(11-23(18)10-16)12-24(19(25)26-20(2,3)4)15-22-13-21(22,5)14-22/h7-11H,6,12-15H2,1-5H3
InChIKeyQPDXWRUEVUGAPT-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.04
Rot. Bonds5

About tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate

tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate (PubChem CID 163239181) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate
PubChem CID163239181
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nametert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate
SMILESCCc1cc2ccc(CN(CC34CC3(C)C4)C(=O)OC(C)(C)C)cn2c1
InChIInChI=1S/C22H30N2O2/c1-6-16-9-18-8-7-17(11-23(18)10-16)12-24(19(25)26-20(2,3)4)15-22-13-21(22,5)14-22/h7-11H,6,12-15H2,1-5H3
InChIKeyQPDXWRUEVUGAPT-UHFFFAOYSA-N
XLogP5.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
CID 176815797
tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
CID 142731266
tert-butyl N-[(3,4-difluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513811
tert-butyl N-[(4-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513813
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319
tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
CID 155923548
tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate
CID 163885984
tert-butyl N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 166513816
tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 176815649
tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 155167927
tert-butyl N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
CID 176815719
tert-butyl N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-N-[[2-[[(5-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815627

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate (CID 163239181) is tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate is CCc1cc2ccc(CN(CC34CC3(C)C4)C(=O)OC(C)(C)C)cn2c1.
What is the InChIKey of tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate?
The InChIKey is QPDXWRUEVUGAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-6-16-9-18-8-7-17(11-23(18)10-16)12-24(19(25)26-20(2,3)4)15-22-13-21(22,5)14-22/h7-11H,6,12-15H2,1-5H3.
What are the key properties of tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate?
tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate has a molecular weight of 354.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate is sourced from PubChem (CID 163239181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).