(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate

C11H15NO2 — CID 163408995

IUPAC(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate
SMILES[2H]C([2H])([2H])NC(=O)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)/i4D3
InChIKeyNYOKZHDTNBDPOB-GKOSEXJESA-N
MW196.26 g/mol
LogP2.33
Rot. Bonds2

About (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate

(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate (PubChem CID 163408995) has the molecular formula C11H15NO2 and a molecular weight of 196.26 g/mol. Its IUPAC name is (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate.

Molecular Properties

Compound Name(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate
PubChem CID163408995
Molecular FormulaC11H15NO2
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate
SMILES[2H]C([2H])([2H])NC(=O)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)/i4D3
InChIKeyNYOKZHDTNBDPOB-GKOSEXJESA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate?
The IUPAC name of (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate (CID 163408995) is (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate.
What is the SMILES notation for (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate?
The canonical SMILES for (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate is [2H]C([2H])([2H])NC(=O)Oc1cc(C)cc(C)c1C.
What is the InChIKey of (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate?
The InChIKey is NYOKZHDTNBDPOB-GKOSEXJESA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)/i4D3.
What are the key properties of (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate?
(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate has a molecular weight of 196.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate is sourced from PubChem (CID 163408995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).