[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate

C11H16N2O2 — CID 169433790

IUPAC[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate
SMILES[2H]C([2H])([2H])NC(=O)Oc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)/i2D3
InChIKeyIMIDOCRTMDIQIJ-BMSJAHLVSA-N
MW211.28 g/mol
LogP1.78
Rot. Bonds3

About [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate

[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate (PubChem CID 169433790) has the molecular formula C11H16N2O2 and a molecular weight of 211.28 g/mol. Its IUPAC name is [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate
PubChem CID169433790
Molecular FormulaC11H16N2O2
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate
SMILES[2H]C([2H])([2H])NC(=O)Oc1ccc(N(C)C)c(C)c1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)/i2D3
InChIKeyIMIDOCRTMDIQIJ-BMSJAHLVSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate?
The IUPAC name of [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate (CID 169433790) is [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate.
What is the SMILES notation for [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate?
The canonical SMILES for [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate is [2H]C([2H])([2H])NC(=O)Oc1ccc(N(C)C)c(C)c1.
What is the InChIKey of [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate?
The InChIKey is IMIDOCRTMDIQIJ-BMSJAHLVSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)/i2D3.
What are the key properties of [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate?
[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate has a molecular weight of 211.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate is sourced from PubChem (CID 169433790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).