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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Related Compounds

tert-Butyl 4-(4-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67434961
tert-butyl 4-(4-isopropyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867557
4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
N-[2-(1-Cyclooctyl-5-methyl-1H-imidazol-2-YL)ethyl]oxane-4-carboxamide
CID 91911677
N-Cyclohexyl-4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-YL]methyl}piperidine-1-carboxamide
CID 91911697
4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 91923574
N-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}tetrahydro-2H-pyran-4-carboxamide
CID 91923939
N~4~-[2-(1-Isopropyl-5-methyl-1H-imidazol-2-YL)ethyl]tetrahydro-2H-pyran-4-carboxamide
CID 91923972
N,N-Diethyl-4-[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine-1-carboxamide
CID 124047212
4-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]-N-propylpiperidine-1-carboxamide
CID 124047213

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).