tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate

C15H25N3O2 — CID 114707891

IUPACtert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate
SMILESCC(C1CCC1)n1cncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-11(12-6-5-7-12)18-10-16-8-13(18)9-17-14(19)20-15(2,3)4/h8,10-12H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyLPGXFFKFULUCGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate

tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate (PubChem CID 114707891) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate
PubChem CID114707891
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate
SMILESCC(C1CCC1)n1cncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-11(12-6-5-7-12)18-10-16-8-13(18)9-17-14(19)20-15(2,3)4/h8,10-12H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyLPGXFFKFULUCGL-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
CID 114704068
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
tert-butyl N-[[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114707619
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
CID 114705588
tert-butyl N-[[3-(4-methylhexan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114706289
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
tert-butyl N-[[3-(2-methylsulfinylpropyl)imidazol-4-yl]methyl]carbamate
CID 114707568
tert-butyl N-[[3-(thian-4-ylmethyl)imidazol-4-yl]methyl]carbamate
CID 114707406
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate (CID 114707891) is tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate is CC(C1CCC1)n1cncc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate?
The InChIKey is LPGXFFKFULUCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(12-6-5-7-12)18-10-16-8-13(18)9-17-14(19)20-15(2,3)4/h8,10-12H,5-7,9H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate?
tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate is sourced from PubChem (CID 114707891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).