tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate

C18H22N2O3 — CID 156818686

IUPACtert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(COc2ccccc2)ccn1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-12-15-11-14(9-10-19-15)13-22-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,20,21)
InChIKeyWFYGALJEUNQSHJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.69
Rot. Bonds5

About tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate (PubChem CID 156818686) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
PubChem CID156818686
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(COc2ccccc2)ccn1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-12-15-11-14(9-10-19-15)13-22-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,20,21)
InChIKeyWFYGALJEUNQSHJ-UHFFFAOYSA-N
XLogP3.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
CID 122714734
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
CID 156901287
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
tert-butyl N-[3-[[N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886873
tert-butyl N-[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate
CID 70068071
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate (CID 156818686) is tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(COc2ccccc2)ccn1.
What is the InChIKey of tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is WFYGALJEUNQSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-12-15-11-14(9-10-19-15)13-22-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 156818686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).