tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate

C14H28BrNO5 — CID 178173815

IUPACtert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCCOCCOCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28BrNO5/c1-14(2,3)21-13(17)16(4)6-8-19-10-12-20-11-9-18-7-5-15/h5-12H2,1-4H3
InChIKeyZVILUCPPXQXJOI-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.30
Rot. Bonds11

About tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate

tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate (PubChem CID 178173815) has the molecular formula C14H28BrNO5 and a molecular weight of 370.28 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
PubChem CID178173815
Molecular FormulaC14H28BrNO5
Molecular Weight370.28 g/mol
Exact Mass369.12
IUPAC Nametert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCCOCCOCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28BrNO5/c1-14(2,3)21-13(17)16(4)6-8-19-10-12-20-11-9-18-7-5-15/h5-12H2,1-4H3
InChIKeyZVILUCPPXQXJOI-UHFFFAOYSA-N
XLogP2.30
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate
CID 158067322
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
methyl 3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162097904
tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate
CID 130301243
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
CID 158283249
tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate
CID 123405533
3-bromopropyl-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamic acid
CID 174166406
tert-butyl N-methyl-N-[2-[2-[2-[5-methyl-5-(methyldisulfanyl)hexoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159167986

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate (CID 178173815) is tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate is CN(CCOCCOCCOCCBr)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The InChIKey is ZVILUCPPXQXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO5/c1-14(2,3)21-13(17)16(4)6-8-19-10-12-20-11-9-18-7-5-15/h5-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate has a molecular weight of 370.28 g/mol, XLogP of 2.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 178173815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).