tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate

C18H23N3O3 — CID 11438898

IUPACtert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cn(CC(=O)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)19-10-9-15-11-21(13-20-15)12-16(22)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,23)
InChIKeyUKAJKALYQSYGPW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds6

About tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate

tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate (PubChem CID 11438898) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate
PubChem CID11438898
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nametert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cn(CC(=O)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)19-10-9-15-11-21(13-20-15)12-16(22)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,23)
InChIKeyUKAJKALYQSYGPW-UHFFFAOYSA-N
XLogP2.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate (CID 11438898) is tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cn(CC(=O)c2ccccc2)cn1.
What is the InChIKey of tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate?
The InChIKey is UKAJKALYQSYGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)19-10-9-15-11-21(13-20-15)12-16(22)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,23).
What are the key properties of tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 11438898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).