tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate

C18H31N3O2 — CID 104952220

IUPACtert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
SMILESCCC1CCC(n2cncc2CCNC(=O)OC(C)(C)C)C1C
InChIInChI=1S/C18H31N3O2/c1-6-14-7-8-16(13(14)2)21-12-19-11-15(21)9-10-20-17(22)23-18(3,4)5/h11-14,16H,6-10H2,1-5H3,(H,20,22)
InChIKeyIDAZLDPEMUEQTQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.95
Rot. Bonds5

About tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 104952220) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
PubChem CID104952220
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Nametert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
SMILESCCC1CCC(n2cncc2CCNC(=O)OC(C)(C)C)C1C
InChIInChI=1S/C18H31N3O2/c1-6-14-7-8-16(13(14)2)21-12-19-11-15(21)9-10-20-17(22)23-18(3,4)5/h11-14,16H,6-10H2,1-5H3,(H,20,22)
InChIKeyIDAZLDPEMUEQTQ-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104951999
tert-butyl N-[2-[3-(1,1-dioxothian-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104952098
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
CID 114705588
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
tert-butyl N-[2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]imidazol-4-yl]ethyl]carbamate
CID 104952166
tert-butyl N-[2-[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]ethyl]carbamate
CID 104952122
tert-butyl N-[2-[3-[2-(oxan-2-yl)ethyl]imidazol-4-yl]ethyl]carbamate
CID 106000286
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate (CID 104952220) is tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate is CCC1CCC(n2cncc2CCNC(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is IDAZLDPEMUEQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-14-7-8-16(13(14)2)21-12-19-11-15(21)9-10-20-17(22)23-18(3,4)5/h11-14,16H,6-10H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 321.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 104952220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).