tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate

C13H23N3O3 — CID 156839844

IUPACtert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCn1ccnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(17)16(9-10-18-4)8-7-15-6-5-14-11-15/h5-6,11H,7-10H2,1-4H3
InChIKeyLPVPEOKEQVUOOS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.77
Rot. Bonds6

About tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate

tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate (PubChem CID 156839844) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
PubChem CID156839844
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCn1ccnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(17)16(9-10-18-4)8-7-15-6-5-14-11-15/h5-6,11H,7-10H2,1-4H3
InChIKeyLPVPEOKEQVUOOS-UHFFFAOYSA-N
XLogP1.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
1-(2-methoxyethyl)imidazole
CID 14366840
tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate;tert-butyl N-(2-imidazol-1-ylethyl)-N-methylcarbamate;2-imidazol-1-yl-N-methylethanamine;2-(methylamino)ethanol
CID 158042197
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate
CID 103880918
tert-butyl 2-amino-3-imidazol-1-yl-2-methylpropanoate
CID 165490503
4-imidazol-1-ylbutyl 2,2-dimethylpropanoate
CID 121289390
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
CID 75396671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate (CID 156839844) is tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate is COCCN(CCn1ccnc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate?
The InChIKey is LPVPEOKEQVUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(17)16(9-10-18-4)8-7-15-6-5-14-11-15/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate?
tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate has a molecular weight of 269.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 156839844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).