(2-propan-2-yloxyphenyl) N-methylcarbamate

C11H15NO3 — CID 4944

IUPAC(2-propan-2-yloxyphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1OC(C)C
InChIInChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyISRUGXGCCGIOQO-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.19
Rot. Bonds3

About (2-propan-2-yloxyphenyl) N-methylcarbamate

(2-propan-2-yloxyphenyl) N-methylcarbamate (PubChem CID 4944) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl) N-methylcarbamate
PubChem CID4944
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2-propan-2-yloxyphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1OC(C)C
InChIInChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyISRUGXGCCGIOQO-UHFFFAOYSA-N
XLogP2.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl) N-methylcarbamate?
The IUPAC name of (2-propan-2-yloxyphenyl) N-methylcarbamate (CID 4944) is (2-propan-2-yloxyphenyl) N-methylcarbamate.
What is the SMILES notation for (2-propan-2-yloxyphenyl) N-methylcarbamate?
The canonical SMILES for (2-propan-2-yloxyphenyl) N-methylcarbamate is CNC(=O)Oc1ccccc1OC(C)C.
What is the InChIKey of (2-propan-2-yloxyphenyl) N-methylcarbamate?
The InChIKey is ISRUGXGCCGIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13).
What are the key properties of (2-propan-2-yloxyphenyl) N-methylcarbamate?
(2-propan-2-yloxyphenyl) N-methylcarbamate has a molecular weight of 209.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl) N-methylcarbamate is sourced from PubChem (CID 4944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).