tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate

C14H26INO3 — CID 114772491

IUPACtert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(CI)OC1CCCC1
InChIInChI=1S/C14H26INO3/c1-13(2,3)19-12(17)16-10-14(4,9-15)18-11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyVWQLGCXOYWWCHQ-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.66
Rot. Bonds5

About tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate

tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate (PubChem CID 114772491) has the molecular formula C14H26INO3 and a molecular weight of 383.27 g/mol. Its IUPAC name is tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate
PubChem CID114772491
Molecular FormulaC14H26INO3
Molecular Weight383.27 g/mol
Exact Mass383.10
IUPAC Nametert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(CI)OC1CCCC1
InChIInChI=1S/C14H26INO3/c1-13(2,3)19-12(17)16-10-14(4,9-15)18-11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyVWQLGCXOYWWCHQ-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-iodo-2-methyl-2-(4-methylcyclohexyl)oxypropyl]carbamate
CID 114772711
tert-butyl N-[3-iodo-2-methyl-2-(oxan-4-yloxy)propyl]carbamate
CID 114772321
tert-butyl N-[3-iodo-2-methyl-2-(3-methylcyclopentyl)oxypropyl]carbamate
CID 165489568
tert-butyl N-[2-(2-cyclobutyloxyethoxy)-3-iodo-2-methylpropyl]carbamate
CID 165493519
tert-butyl N-[2-(cyclohexylmethoxy)-3-iodo-2-methylpropyl]carbamate
CID 114774025
tert-butyl N-[3-iodo-2-methyl-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate
CID 114772203
tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate
CID 165493541
tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)-N-ethylcarbamate
CID 165489354
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2-(2-cyclopropyl-2-ethoxyethoxy)-3-iodo-2-methylpropyl]carbamate
CID 165494957
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate (CID 114772491) is tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate is CC(C)(C)OC(=O)NCC(C)(CI)OC1CCCC1.
What is the InChIKey of tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate?
The InChIKey is VWQLGCXOYWWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26INO3/c1-13(2,3)19-12(17)16-10-14(4,9-15)18-11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate?
tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate has a molecular weight of 383.27 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate is sourced from PubChem (CID 114772491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).