tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate

C22H43NO6 — CID 170442416

IUPACtert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate
SMILESCCCCOCCOCCOCCOCC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H43NO6/c1-5-6-11-25-12-13-26-14-15-27-16-17-28-18-19-7-9-20(10-8-19)23-21(24)29-22(2,3)4/h19-20H,5-18H2,1-4H3,(H,23,24)
InChIKeyUNJQGAQJBDBKDE-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.94
Rot. Bonds15

About tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate

tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate (PubChem CID 170442416) has the molecular formula C22H43NO6 and a molecular weight of 417.59 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate
PubChem CID170442416
Molecular FormulaC22H43NO6
Molecular Weight417.59 g/mol
Exact Mass417.31
IUPAC Nametert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate
SMILESCCCCOCCOCCOCCOCC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H43NO6/c1-5-6-11-25-12-13-26-14-15-27-16-17-28-18-19-7-9-20(10-8-19)23-21(24)29-22(2,3)4/h19-20H,5-18H2,1-4H3,(H,23,24)
InChIKeyUNJQGAQJBDBKDE-UHFFFAOYSA-N
XLogP3.94
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]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

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate
CID 176736316
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
CID 138695815
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]carbamate
CID 159288412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate (CID 170442416) is tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate is CCCCOCCOCCOCCOCC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate?
The InChIKey is UNJQGAQJBDBKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO6/c1-5-6-11-25-12-13-26-14-15-27-16-17-28-18-19-7-9-20(10-8-19)23-21(24)29-22(2,3)4/h19-20H,5-18H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate has a molecular weight of 417.59 g/mol, XLogP of 3.94, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate is sourced from PubChem (CID 170442416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).