propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate

C13H18BrNO4 — CID 168944771

IUPACpropyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1cc(OC)c(Br)cc1O
InChIInChI=1S/C13H18BrNO4/c1-3-6-19-13(17)15-5-4-9-7-12(18-2)10(14)8-11(9)16/h7-8,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyOLSJMKOIBOQKFR-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.84
Rot. Bonds6

About propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate

propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate (PubChem CID 168944771) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate
PubChem CID168944771
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Namepropyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1cc(OC)c(Br)cc1O
InChIInChI=1S/C13H18BrNO4/c1-3-6-19-13(17)15-5-4-9-7-12(18-2)10(14)8-11(9)16/h7-8,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyOLSJMKOIBOQKFR-UHFFFAOYSA-N
XLogP2.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate with MolForge

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Related Compounds

ethylcarbamoyloxymethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
CID 168944840
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491
ethyl 2-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethylcarbamoyl]cyclopentene-1-carboxylate
CID 168944742
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
2-morpholin-4-ylethyl N-[2-(4-bromo-5-hydroxy-2-methoxyphenyl)ethyl]carbamate
CID 168944731
2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)ethyl N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]carbamate
CID 168944996
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
propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
CID 129163589
[1-[2-(4-bromo-2,5-dimethoxyphenyl)ethylcarbamoyloxymethyl]cyclohexyl]methyl 2,2-dimethylpropanoate
CID 168944732
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
(2S)-2,6-diamino-N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]hexanamide
CID 168944871

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate?
The IUPAC name of propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate (CID 168944771) is propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate is CCCOC(=O)NCCc1cc(OC)c(Br)cc1O.
What is the InChIKey of propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate?
The InChIKey is OLSJMKOIBOQKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-3-6-19-13(17)15-5-4-9-7-12(18-2)10(14)8-11(9)16/h7-8,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate?
propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate has a molecular weight of 332.19 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 168944771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).