tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate

C17H24BrNO3 — CID 171118516

IUPACtert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate
SMILESCCOc1cccc(Br)c1CN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H24BrNO3/c1-5-21-15-8-6-7-14(18)13(15)11-19(12-9-10-12)16(20)22-17(2,3)4/h6-8,12H,5,9-11H2,1-4H3
InChIKeyXBWJBNLABIKSCI-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate

tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate (PubChem CID 171118516) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate
PubChem CID171118516
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC Nametert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate
SMILESCCOc1cccc(Br)c1CN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H24BrNO3/c1-5-21-15-8-6-7-14(18)13(15)11-19(12-9-10-12)16(20)22-17(2,3)4/h6-8,12H,5,9-11H2,1-4H3
InChIKeyXBWJBNLABIKSCI-UHFFFAOYSA-N
XLogP4.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate (CID 171118516) is tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate is CCOc1cccc(Br)c1CN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate?
The InChIKey is XBWJBNLABIKSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-5-21-15-8-6-7-14(18)13(15)11-19(12-9-10-12)16(20)22-17(2,3)4/h6-8,12H,5,9-11H2,1-4H3.
What are the key properties of tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate?
tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate has a molecular weight of 370.29 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-bromo-6-ethoxyphenyl)methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 171118516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).