tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate

C13H20N2O3 — CID 145199582

IUPACtert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
SMILESCc1ccc(OCCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H20N2O3/c1-10-5-6-11(15-9-10)17-8-7-14-12(16)18-13(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyIVQSKBQWVDITEZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.29
Rot. Bonds4

About tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate

tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate (PubChem CID 145199582) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
PubChem CID145199582
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
SMILESCc1ccc(OCCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H20N2O3/c1-10-5-6-11(15-9-10)17-8-7-14-12(16)18-13(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyIVQSKBQWVDITEZ-UHFFFAOYSA-N
XLogP2.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
CID 175662867
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
CID 142077539
tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
CID 68888242
tert-butyl N-[2-(2-cyano-5-methylphenoxy)ethyl]carbamate
CID 166513843
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
tert-butyl N-[2-(5-chloro-2-iodophenoxy)ethyl]carbamate
CID 175686847
tert-butyl N-[2-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]ethyl]carbamate
CID 113415120
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate (CID 145199582) is tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate is Cc1ccc(OCCNC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate?
The InChIKey is IVQSKBQWVDITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-5-6-11(15-9-10)17-8-7-14-12(16)18-13(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate?
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate is sourced from PubChem (CID 145199582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).