tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate

C14H21NO3 — CID 71742918

IUPACtert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
SMILESCc1ccc(N(C)C(=O)OC(C)(C)C)c(CO)c1
InChIInChI=1S/C14H21NO3/c1-10-6-7-12(11(8-10)9-16)15(5)13(17)18-14(2,3)4/h6-8,16H,9H2,1-5H3
InChIKeyPWVGREBSMCEBGQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate

tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate (PubChem CID 71742918) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
PubChem CID71742918
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
SMILESCc1ccc(N(C)C(=O)OC(C)(C)C)c(CO)c1
InChIInChI=1S/C14H21NO3/c1-10-6-7-12(11(8-10)9-16)15(5)13(17)18-14(2,3)4/h6-8,16H,9H2,1-5H3
InChIKeyPWVGREBSMCEBGQ-UHFFFAOYSA-N
XLogP2.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-[2-[[(2-chloroacetyl)amino]methyl]phenyl]-N-methylcarbamate
CID 166430200
tert-butyl N-(2-amino-4-bromophenyl)-N-methylcarbamate
CID 103694246
tert-butyl N-(2-bromo-4-iodophenyl)-N-methylcarbamate
CID 155462077
tert-butyl N-[2-(12-hydroxydodecoxymethyl)phenyl]-N-methylcarbamate
CID 10598289
tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate
CID 169373025
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
tert-butyl N-(4-butoxy-2-chlorophenyl)-N-methylcarbamate
CID 89451863
tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate
CID 118480309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate (CID 71742918) is tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate is Cc1ccc(N(C)C(=O)OC(C)(C)C)c(CO)c1.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate?
The InChIKey is PWVGREBSMCEBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-6-7-12(11(8-10)9-16)15(5)13(17)18-14(2,3)4/h6-8,16H,9H2,1-5H3.
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate?
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate is sourced from PubChem (CID 71742918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).