tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate

C11H22BrNO3 — CID 142613758

IUPACtert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate
SMILESCN(CCCOCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22BrNO3/c1-11(2,3)16-10(14)13(4)7-5-8-15-9-6-12/h5-9H2,1-4H3
InChIKeyGYSDPTLWCNPYNS-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate

tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate (PubChem CID 142613758) has the molecular formula C11H22BrNO3 and a molecular weight of 296.21 g/mol. Its IUPAC name is tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate
PubChem CID142613758
Molecular FormulaC11H22BrNO3
Molecular Weight296.21 g/mol
Exact Mass295.08
IUPAC Nametert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate
SMILESCN(CCCOCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22BrNO3/c1-11(2,3)16-10(14)13(4)7-5-8-15-9-6-12/h5-9H2,1-4H3
InChIKeyGYSDPTLWCNPYNS-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl N-(3-bromopropyl)-N-methylcarbamate
CID 46780899
tert-butyl N-(4-bromobutyl)-N-methylcarbamate
CID 85722826
tert-Butyl (2-(2-bromoethoxy)ethyl)(methyl)carbamate
CID 130492424
1,1-Dimethylethyl N-(3-methoxypropyl)-N-methylcarbamate
CID 57447691
N-BOC-N-ethyl-3-bromo-propylamine
CID 18940749
tert-Butyl (2-bromoethyl)(methyl)carbamate
CID 53743212
tert-butyl N-(1-bromoethyl)-N-methylcarbamate
CID 90196898
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-ethyl-N-(3-methoxypropyl)carbamate
CID 125500736
tert-butyl N-methyl-N-(3-propan-2-yloxypropyl)carbamate
CID 131162527
tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate
CID 141434701
1-bromoethyl N-(3-methoxypropyl)-N-methylcarbamate
CID 144277539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate (CID 142613758) is tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate is CN(CCCOCCBr)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate?
The InChIKey is GYSDPTLWCNPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3/c1-11(2,3)16-10(14)13(4)7-5-8-15-9-6-12/h5-9H2,1-4H3.
What are the key properties of tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate?
tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate has a molecular weight of 296.21 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate is sourced from PubChem (CID 142613758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).