tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate

C17H34INO4 — CID 165493556

IUPACtert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate
SMILESCCN(CC(C)(CI)OCC(C)(CC)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34INO4/c1-9-16(6,21-8)13-22-17(7,11-18)12-19(10-2)14(20)23-15(3,4)5/h9-13H2,1-8H3
InChIKeyCQKDXNPKBGURBZ-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.27
Rot. Bonds9

About tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate

tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate (PubChem CID 165493556) has the molecular formula C17H34INO4 and a molecular weight of 443.37 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate
PubChem CID165493556
Molecular FormulaC17H34INO4
Molecular Weight443.37 g/mol
Exact Mass443.15
IUPAC Nametert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate
SMILESCCN(CC(C)(CI)OCC(C)(CC)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34INO4/c1-9-16(6,21-8)13-22-17(7,11-18)12-19(10-2)14(20)23-15(3,4)5/h9-13H2,1-8H3
InChIKeyCQKDXNPKBGURBZ-UHFFFAOYSA-N
XLogP4.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]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-ethyl-N-[3-iodo-2-(3-methoxypropoxy)-2-methylpropyl]carbamate
CID 114772357
tert-butyl N-[2-(2-ethoxyethoxy)-3-iodo-2-methylpropyl]-N-ethylcarbamate
CID 114772611
tert-butyl N-ethyl-N-[3-iodo-2-methyl-2-(4,4,4-trifluorobutoxy)propyl]carbamate
CID 104969743
tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)-N-ethylcarbamate
CID 165489354
tert-butyl N-(3-bromo-2-butoxy-2-methylpropyl)-N-ethylcarbamate
CID 114772049
tert-butyl N-[3-bromo-2-methyl-2-(4-methylpentoxy)propyl]-N-ethylcarbamate
CID 104969640
tert-butyl N-(3-bromo-2-hexoxy-2-methylpropyl)-N-ethylcarbamate
CID 104969650
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-[3-bromo-2-(1-cyclobutylethoxy)-2-methylpropyl]-N-ethylcarbamate
CID 165494761
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate (CID 165493556) is tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate is CCN(CC(C)(CI)OCC(C)(CC)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate?
The InChIKey is CQKDXNPKBGURBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34INO4/c1-9-16(6,21-8)13-22-17(7,11-18)12-19(10-2)14(20)23-15(3,4)5/h9-13H2,1-8H3.
What are the key properties of tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate?
tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate has a molecular weight of 443.37 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-iodo-2-(2-methoxy-2-methylbutoxy)-2-methylpropyl]carbamate is sourced from PubChem (CID 165493556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).