tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate

C16H27NO3 — CID 143973016

IUPACtert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@H](COC1=CC=CCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-12(2)14(17-15(18)20-16(3,4)5)11-19-13-9-7-6-8-10-13/h6-7,9,12,14H,8,10-11H2,1-5H3,(H,17,18)/t14-/m0/s1
InChIKeyJMCWOSWFZBJXQB-AWEZNQCLSA-N
MW281.40 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate (PubChem CID 143973016) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate
PubChem CID143973016
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@H](COC1=CC=CCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-12(2)14(17-15(18)20-16(3,4)5)11-19-13-9-7-6-8-10-13/h6-7,9,12,14H,8,10-11H2,1-5H3,(H,17,18)/t14-/m0/s1
InChIKeyJMCWOSWFZBJXQB-AWEZNQCLSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methylamino]propyl]carbamate
CID 91343912
tert-butyl N-(4-cyclohexa-1,3-dien-1-yloxybutyl)carbamate
CID 123172020
tert-butyl N-[2-[(3E)-hexa-3,5-dien-3-yl]oxyethyl]carbamate
CID 126731939
tert-butyl N-[3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutyl]carbamate
CID 126745580
tert-butyl N-[(2S)-1-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-2-yl]carbamate
CID 126745803
[(2S)-2-(6-methylcyclohexa-2,4-dien-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 132079384
tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 143810595
tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate;ethane;prop-1-ene
CID 145340439
tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate
CID 175063132
tert-butyl N-[2-(2-cyclohexa-2,4-dien-1-ylethoxy)ethyl]carbamate
CID 175839384
tert-butyl N-[(5E)-5-ethylideneoxolan-3-yl]carbamate
CID 145006317
tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate
CID 145340440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate (CID 143973016) is tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate is CC(C)[C@H](COC1=CC=CCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate?
The InChIKey is JMCWOSWFZBJXQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)14(17-15(18)20-16(3,4)5)11-19-13-9-7-6-8-10-13/h6-7,9,12,14H,8,10-11H2,1-5H3,(H,17,18)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-cyclohexa-1,3-dien-1-yloxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 143973016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).