tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate

C16H27N3O3 — CID 139556318

IUPACtert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate
SMILESCc1cn(CCNC(=O)OC(C)(C)C)c(C2CCOCC2)n1
InChIInChI=1S/C16H27N3O3/c1-12-11-19(8-7-17-15(20)22-16(2,3)4)14(18-12)13-5-9-21-10-6-13/h11,13H,5-10H2,1-4H3,(H,17,20)
InChIKeyOZQAWLMRFUHORX-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.61
Rot. Bonds4

About tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate (PubChem CID 139556318) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate
PubChem CID139556318
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate
SMILESCc1cn(CCNC(=O)OC(C)(C)C)c(C2CCOCC2)n1
InChIInChI=1S/C16H27N3O3/c1-12-11-19(8-7-17-15(20)22-16(2,3)4)14(18-12)13-5-9-21-10-6-13/h11,13H,5-10H2,1-4H3,(H,17,20)
InChIKeyOZQAWLMRFUHORX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate (CID 139556318) is tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate is Cc1cn(CCNC(=O)OC(C)(C)C)c(C2CCOCC2)n1.
What is the InChIKey of tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate?
The InChIKey is OZQAWLMRFUHORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-11-19(8-7-17-15(20)22-16(2,3)4)14(18-12)13-5-9-21-10-6-13/h11,13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.61, 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-[4-methyl-2-(oxan-4-yl)imidazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 139556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).