tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane

C16H28N2O3 — CID 142077539

IUPACtert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
SMILESCC.Cc1ccc(OCCNC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C14H22N2O3.C2H6/c1-10-6-7-12(11(2)16-10)18-9-8-15-13(17)19-14(3,4)5;1-2/h6-7H,8-9H2,1-5H3,(H,15,17);1-2H3
InChIKeyANKJXLAGIXJUCD-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane

tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane (PubChem CID 142077539) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
PubChem CID142077539
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
SMILESCC.Cc1ccc(OCCNC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C14H22N2O3.C2H6/c1-10-6-7-12(11(2)16-10)18-9-8-15-13(17)19-14(3,4)5;1-2/h6-7H,8-9H2,1-5H3,(H,15,17);1-2H3
InChIKeyANKJXLAGIXJUCD-UHFFFAOYSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.63
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-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
CID 115748753
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
tert-butyl N-[2-(2-cyano-5-methylphenoxy)ethyl]carbamate
CID 166513843
tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
CID 86709756
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]terephthalic acid
CID 122438342
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane (CID 142077539) is tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane is CC.Cc1ccc(OCCNC(=O)OC(C)(C)C)c(C)n1.
What is the InChIKey of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane?
The InChIKey is ANKJXLAGIXJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.C2H6/c1-10-6-7-12(11(2)16-10)18-9-8-15-13(17)19-14(3,4)5;1-2/h6-7H,8-9H2,1-5H3,(H,15,17);1-2H3.
What are the key properties of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane?
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane has a molecular weight of 296.41 g/mol, XLogP of 3.63, 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-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane is sourced from PubChem (CID 142077539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).