[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

C12H16N2O4 — CID 142031246

IUPAC[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H16N2O4/c1-8-5-9(17-11(15)13-2)7-10(6-8)18-12(16)14(3)4/h5-7H,1-4H3,(H,13,15)
InChIKeyXLHKMOYCACFMPV-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.77
Rot. Bonds2

About [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate (PubChem CID 142031246) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
PubChem CID142031246
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H16N2O4/c1-8-5-9(17-11(15)13-2)7-10(6-8)18-12(16)14(3)4/h5-7H,1-4H3,(H,13,15)
InChIKeyXLHKMOYCACFMPV-UHFFFAOYSA-N
XLogP1.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3-tert-butyl-5-methylphenyl) N-methylcarbamate
CID 23274278
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 11011847
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
CID 17521
(3,5-dimethylphenyl) N-prop-1-enylcarbamate
CID 71409237
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
methanedisulfonic acid;(3-methylphenyl) N-methylcarbamate
CID 88837108
(3,5-dimethylphenyl) N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672361

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate (CID 142031246) is [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate is CNC(=O)Oc1cc(C)cc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
The InChIKey is XLHKMOYCACFMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-5-9(17-11(15)13-2)7-10(6-8)18-12(16)14(3)4/h5-7H,1-4H3,(H,13,15).
What are the key properties of [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate has a molecular weight of 252.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 142031246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).