tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate

C19H30N2O5 — CID 145268934

IUPACtert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCCCC1.COC(=O)c1cncc(OC)c1
InChIInChI=1S/C11H21NO2.C8H9NO3/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-11-7-3-6(4-9-5-7)8(10)12-2/h9H,4-8H2,1-3H3,(H,12,13);3-5H,1-2H3
InChIKeyRROQPCRFOVOAPF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate

tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate (PubChem CID 145268934) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate
PubChem CID145268934
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCCCC1.COC(=O)c1cncc(OC)c1
InChIInChI=1S/C11H21NO2.C8H9NO3/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-11-7-3-6(4-9-5-7)8(10)12-2/h9H,4-8H2,1-3H3,(H,12,13);3-5H,1-2H3
InChIKeyRROQPCRFOVOAPF-UHFFFAOYSA-N
XLogP3.72
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 69169990
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
methyl 5-[3-(1,3-dihydroisoindol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-3-carboxylate
CID 69231700
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
CID 148872501
methyl 2-chloro-6-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidin-5-yl]oxypyridine-4-carboxylate
CID 146241669
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
methyl N-cyclohexadecylcarbamate
CID 131977131
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate?
The IUPAC name of tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate (CID 145268934) is tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate.
What is the SMILES notation for tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate?
The canonical SMILES for tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate is CC(C)(C)OC(=O)NC1CCCCC1.COC(=O)c1cncc(OC)c1.
What is the InChIKey of tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate?
The InChIKey is RROQPCRFOVOAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C8H9NO3/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-11-7-3-6(4-9-5-7)8(10)12-2/h9H,4-8H2,1-3H3,(H,12,13);3-5H,1-2H3.
What are the key properties of tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate?
tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexylcarbamate;methyl 5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 145268934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).