tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate

C17H36N2O4 — CID 122606410

IUPACtert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C17H36N2O4/c1-15(2,3)23-14(20)19-11-13-22-17(6,7)9-12-21-16(4,5)8-10-18/h8-13,18H2,1-7H3,(H,19,20)
InChIKeyRCXOJSSUOLVESA-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.84
Rot. Bonds10

About tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate

tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate (PubChem CID 122606410) has the molecular formula C17H36N2O4 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate
PubChem CID122606410
Molecular FormulaC17H36N2O4
Molecular Weight332.49 g/mol
Exact Mass332.27
IUPAC Nametert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C17H36N2O4/c1-15(2,3)23-14(20)19-11-13-22-17(6,7)9-12-21-16(4,5)8-10-18/h8-13,18H2,1-7H3,(H,19,20)
InChIKeyRCXOJSSUOLVESA-UHFFFAOYSA-N
XLogP2.84
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate with MolForge

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Related Compounds

tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate
CID 12106198
Boc-NH-PEG4-amine
CID 11688612
tert-butyl N-[2-(3-aminopropoxy)ethyl]carbamate
CID 45092310
tert-butyl N-(2-(2-(methylamino)ethoxy)ethyl)carbamate
CID 66545649
tert-butyl N-{3-[2-(methylamino)ethoxy]propyl}carbamate
CID 165942533
Boc-PEG-amine (n=11)
CID 5079724
tert-butyl N-[2-(3-aminopropoxy)ethyl]carbamate hydrochloride
CID 165810463
Tert-butyl (23-amino-3,6,9,12,15,18,21-heptaoxatricosyl)carbamate
CID 5214899
tert-butyl N-(2-butoxyethyl)carbamate
CID 23059161
tert-Butyl (17-amino-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamate
CID 60146195
N-boc-2-aminoethyl carbamate
CID 83215599
tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate
CID 138694229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate (CID 122606410) is tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOC(C)(C)CCOC(C)(C)CCN.
What is the InChIKey of tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate?
The InChIKey is RCXOJSSUOLVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O4/c1-15(2,3)23-14(20)19-11-13-22-17(6,7)9-12-21-16(4,5)8-10-18/h8-13,18H2,1-7H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate?
tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate has a molecular weight of 332.49 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]carbamate is sourced from PubChem (CID 122606410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).