(3-propan-2-ylphenyl) N-methylcarbamate

C11H15NO2 — CID 6143

IUPAC(3-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc(C(C)C)c1
InChIInChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyGYKXQTKSWLAUIT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.53
Rot. Bonds2

About (3-propan-2-ylphenyl) N-methylcarbamate

(3-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 6143) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-propan-2-ylphenyl) N-methylcarbamate
PubChem CID6143
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc(C(C)C)c1
InChIInChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyGYKXQTKSWLAUIT-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (3-propan-2-ylphenyl) N-methylcarbamate (CID 6143) is (3-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (3-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1cccc(C(C)C)c1.
What is the InChIKey of (3-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is GYKXQTKSWLAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13).
What are the key properties of (3-propan-2-ylphenyl) N-methylcarbamate?
(3-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 6143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).