tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate

C15H22BrNO4 — CID 166176544

IUPACtert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(Cc1ccc(O)c(Br)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22BrNO4/c1-15(2,3)21-14(19)17(7-8-20-4)10-11-5-6-13(18)12(16)9-11/h5-6,9,18H,7-8,10H2,1-4H3
InChIKeyVQUAIIQYRDFKGW-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate (PubChem CID 166176544) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
PubChem CID166176544
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Nametert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(Cc1ccc(O)c(Br)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22BrNO4/c1-15(2,3)21-14(19)17(7-8-20-4)10-11-5-6-13(18)12(16)9-11/h5-6,9,18H,7-8,10H2,1-4H3
InChIKeyVQUAIIQYRDFKGW-UHFFFAOYSA-N
XLogP3.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70935034
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CID 142731266
2-bromo-4-[[3-methoxypropyl(methyl)amino]methyl]phenol
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tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-hexylcarbamate
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CID 82981827
tert-butyl N-[(4-bromo-3-chlorophenyl)methyl]-N-(4-oxobutyl)carbamate
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tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(2-bromoethyl)carbamate
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tert-butyl N-[(2-bromo-1-benzofuran-6-yl)methyl]-N-(2-butoxyethyl)carbamate
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CID 172594045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate (CID 166176544) is tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate is COCCN(Cc1ccc(O)c(Br)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is VQUAIIQYRDFKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-15(2,3)21-14(19)17(7-8-20-4)10-11-5-6-13(18)12(16)9-11/h5-6,9,18H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 360.25 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 166176544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).