tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate

C13H19NO3 — CID 61044483

IUPACtert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(O)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)9-10-5-7-11(15)8-6-10/h5-8,15H,9H2,1-4H3
InChIKeyYTCDWGLUXZFVDD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate

tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate (PubChem CID 61044483) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
PubChem CID61044483
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(O)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)9-10-5-7-11(15)8-6-10/h5-8,15H,9H2,1-4H3
InChIKeyYTCDWGLUXZFVDD-UHFFFAOYSA-N
XLogP2.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate (CID 61044483) is tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate is CN(Cc1ccc(O)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
The InChIKey is YTCDWGLUXZFVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)9-10-5-7-11(15)8-6-10/h5-8,15H,9H2,1-4H3.
What are the key properties of tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 61044483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).