[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate

C12H18N2O2 — CID 9414

IUPAC[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(N(C)C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)
InChIKeyYNEVBPNZHBAYOA-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.09
Rot. Bonds2

About [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate

[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate (PubChem CID 9414) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate
PubChem CID9414
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(N(C)C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)
InChIKeyYNEVBPNZHBAYOA-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(dimethylamino)-3,5-dimethylphenyl] 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

Related Compounds

Aminocarb
CID 16247
Formparanate
CID 28699
Allyxycarb
CID 22890
4-Methylformamido-3,5-xylyl methylcarbamate
CID 25069
4-Methylamino-3,5-xylyl methylcarbamate
CID 25221
4-Amino-3,5-xylyl N-methylcarbamate
CID 13252
Dimethyl-[[2-methyl-4-(methylcarbamoyloxy)phenyl]iminomethyl]azanium chloride
CID 37148
Aminomatacil
CID 25072
Acetamide, N-(4-(acetyloxy)-2,6-dimethylphenyl)-
CID 214380
4-methoxy-N,2-dimethylaniline hydrochloride
CID 14567814
FAAH Inhibitor, 2i
CID 71699785
[4-(dimethylamino)-2-propan-2-ylphenyl] N-methylcarbamate
CID 278483

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate?
The IUPAC name of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate (CID 9414) is [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate.
What is the SMILES notation for [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate?
The canonical SMILES for [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate is CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1.
What is the InChIKey of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate?
The InChIKey is YNEVBPNZHBAYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15).
What are the key properties of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate?
[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate is sourced from PubChem (CID 9414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).