tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate

C17H26N2O2 — CID 11822401

IUPACtert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)18-11-12-19(13-18)17(4,5)14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3
InChIKeyLLHMIJJDEPSMKO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate

tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate (PubChem CID 11822401) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate
PubChem CID11822401
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)18-11-12-19(13-18)17(4,5)14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3
InChIKeyLLHMIJJDEPSMKO-UHFFFAOYSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate 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 3-tert-butylimidazolidine-1-carboxylate
CID 147368889
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
tert-butyl 3-(1,1-diphenylethyl)pyrrolidine-1-carboxylate
CID 174192656
tert-butyl 6-fluoro-8-(2-phenylpropan-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 166080554
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
2-phenylpropan-2-yl azetidine-1-carboxylate
CID 170530047
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 3-methyl-4-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 11345968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate (CID 11822401) is tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C)(C)c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate?
The InChIKey is LLHMIJJDEPSMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)18-11-12-19(13-18)17(4,5)14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3.
What are the key properties of tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate?
tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate is sourced from PubChem (CID 11822401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).