(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate

C22H30N2O4 — CID 25549

IUPAC(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(C)c(C)c1.CNC(=O)Oc1cc(C)cc(C)c1C
InChIInChI=1S/2C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3;1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h2*5-6H,1-4H3,(H,12,13)
InChIKeyCNBWXTCSMFEZDM-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.66
Rot. Bonds2

About (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate

(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate (PubChem CID 25549) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
PubChem CID25549
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(C)c(C)c1.CNC(=O)Oc1cc(C)cc(C)c1C
InChIInChI=1S/2C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3;1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h2*5-6H,1-4H3,(H,12,13)
InChIKeyCNBWXTCSMFEZDM-UHFFFAOYSA-N
XLogP4.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate
CID 163408995
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3-tert-butyl-5-methylphenyl) N-methylcarbamate
CID 23274278
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
CID 17521
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716
(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 158053906
(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
CID 12953311
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694

Frequently Asked Questions

What is the IUPAC name of (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?
The IUPAC name of (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate (CID 25549) is (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate.
What is the SMILES notation for (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?
The canonical SMILES for (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)c(C)c(C)c1.CNC(=O)Oc1cc(C)cc(C)c1C.
What is the InChIKey of (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?
The InChIKey is CNBWXTCSMFEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3;1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h2*5-6H,1-4H3,(H,12,13).
What are the key properties of (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate has a molecular weight of 386.49 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate is sourced from PubChem (CID 25549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).