tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate

C13H19NO3 — CID 2794813

IUPACtert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyKUEPOWVQABAWRK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate

tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate (PubChem CID 2794813) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
PubChem CID2794813
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyKUEPOWVQABAWRK-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate (CID 2794813) is tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate?
The InChIKey is KUEPOWVQABAWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 2794813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).