tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate

C18H22N2O3 — CID 75393116

IUPACtert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
SMILESCc1ccc(OCc2cccc(NC(=O)OC(C)(C)C)c2)cn1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-16(11-19-13)22-12-14-6-5-7-15(10-14)20-17(21)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyWFFMYXZZGLVTSE-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate

tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate (PubChem CID 75393116) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
PubChem CID75393116
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
SMILESCc1ccc(OCc2cccc(NC(=O)OC(C)(C)C)c2)cn1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-16(11-19-13)22-12-14-6-5-7-15(10-14)20-17(21)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyWFFMYXZZGLVTSE-UHFFFAOYSA-N
XLogP4.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(3-formyl-4-methylphenoxy)methyl]phenyl]carbamate
CID 165145128
1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea
CID 155673810
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440301
tert-butyl N-[4-[[3-(3-hydroxypropyl)phenyl]methoxy]phenyl]carbamate
CID 139940090
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
tert-butyl N-[3-(isocyanatomethyl)phenyl]carbamate
CID 117373443
tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
CID 140869030
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate (CID 75393116) is tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate is Cc1ccc(OCc2cccc(NC(=O)OC(C)(C)C)c2)cn1.
What is the InChIKey of tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate?
The InChIKey is WFFMYXZZGLVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-8-9-16(11-19-13)22-12-14-6-5-7-15(10-14)20-17(21)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate?
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate has a molecular weight of 314.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate is sourced from PubChem (CID 75393116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).