[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate

C11H16N2O2 — CID 16247

IUPAC[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate
SMILESCNC(=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)
InChIKeyIMIDOCRTMDIQIJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.78
Rot. Bonds2

About [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate

[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate (PubChem CID 16247) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate
PubChem CID16247
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate
SMILESCNC(=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)
InChIKeyIMIDOCRTMDIQIJ-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate 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-methylcarbamate?
The IUPAC name of [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate (CID 16247) is [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate.
What is the SMILES notation for [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate?
The canonical SMILES for [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate is CNC(=O)Oc1ccc(N(C)C)c(C)c1.
What is the InChIKey of [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate?
The InChIKey is IMIDOCRTMDIQIJ-UHFFFAOYSA-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).
What are the key properties of [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate?
[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 1.78, 2 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-methylcarbamate is sourced from PubChem (CID 16247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).