ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate

C15H21BrN2O6 — CID 168944840

IUPACethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
SMILESCCNC(=O)OCOC(=O)NCCc1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H21BrN2O6/c1-4-17-14(19)23-9-24-15(20)18-6-5-10-7-13(22-3)11(16)8-12(10)21-2/h7-8H,4-6,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKSERGEBETVCNMA-UHFFFAOYSA-N
MW405.25 g/mol
LogP2.44
Rot. Bonds8

About ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate

ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate (PubChem CID 168944840) has the molecular formula C15H21BrN2O6 and a molecular weight of 405.25 g/mol. Its IUPAC name is ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
PubChem CID168944840
Molecular FormulaC15H21BrN2O6
Molecular Weight405.25 g/mol
Exact Mass404.06
IUPAC Nameethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
SMILESCCNC(=O)OCOC(=O)NCCc1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H21BrN2O6/c1-4-17-14(19)23-9-24-15(20)18-6-5-10-7-13(22-3)11(16)8-12(10)21-2/h7-8H,4-6,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKSERGEBETVCNMA-UHFFFAOYSA-N
XLogP2.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate
CID 168944771
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 14566888
[1-[2-(4-bromo-2,5-dimethoxyphenyl)ethylcarbamoyloxymethyl]cyclohexyl] acetate
CID 168944737
[1-[2-(4-bromo-2,5-dimethoxyphenyl)ethylcarbamoyloxymethyl]cyclohexyl]methyl 2,2-dimethylpropanoate
CID 168944732
(2S)-2,6-diamino-N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]hexanamide
CID 168944871
2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)ethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
CID 168944996
3-acetamido-N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 168944808
[2-(4-bromo-2,5-dimethoxyphenyl)-1,1,2,2-tetradeuterioethyl]carbamoyloxymethyl propan-2-yl carbonate
CID 176633122
1-[(1,1-dioxothietan-3-yl)carbamoyloxy]ethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
CID 168944990
N-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-2,2,2-trifluoroacetamide
CID 14566891
N-[1-[2-(4-bromo-2,5-dimethoxyphenyl)ethylamino]ethyl]acetamide
CID 168945007
2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate
CID 168944731

Frequently Asked Questions

What is the IUPAC name of ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate?
The IUPAC name of ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate (CID 168944840) is ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate?
The canonical SMILES for ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate is CCNC(=O)OCOC(=O)NCCc1cc(OC)c(Br)cc1OC.
What is the InChIKey of ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate?
The InChIKey is KSERGEBETVCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O6/c1-4-17-14(19)23-9-24-15(20)18-6-5-10-7-13(22-3)11(16)8-12(10)21-2/h7-8H,4-6,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate?
ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate has a molecular weight of 405.25 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 168944840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).