tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate

C16H27N3O3 — CID 104952270

IUPACtert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cncn1C1(C)CCOCC1
InChIInChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)18-8-5-13-11-17-12-19(13)16(4)6-9-21-10-7-16/h11-12H,5-10H2,1-4H3,(H,18,20)
InChIKeyOJGYHSMKCKKASR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate (PubChem CID 104952270) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate
PubChem CID104952270
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cncn1C1(C)CCOCC1
InChIInChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)18-8-5-13-11-17-12-19(13)16(4)6-9-21-10-7-16/h11-12H,5-10H2,1-4H3,(H,18,20)
InChIKeyOJGYHSMKCKKASR-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]ethyl]carbamate
CID 104952245
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
tert-butyl N-[2-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952107
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[2-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952049
tert-butyl N-[2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]imidazol-4-yl]ethyl]carbamate
CID 104952166
tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104951999
tert-butyl N-[2-[3-[2-(oxan-2-yl)ethyl]imidazol-4-yl]ethyl]carbamate
CID 106000286
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate (CID 104952270) is tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cncn1C1(C)CCOCC1.
What is the InChIKey of tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is OJGYHSMKCKKASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)18-8-5-13-11-17-12-19(13)16(4)6-9-21-10-7-16/h11-12H,5-10H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 104952270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).