(3-tert-butyl-5-methylphenyl) N-methylcarbamate

C13H19NO2 — CID 23274278

IUPAC(3-tert-butyl-5-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-10(13(2,3)4)8-11(7-9)16-12(15)14-5/h6-8H,1-5H3,(H,14,15)
InChIKeyRZHKEMZIQUFPOU-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.01
Rot. Bonds1

About (3-tert-butyl-5-methylphenyl) N-methylcarbamate

(3-tert-butyl-5-methylphenyl) N-methylcarbamate (PubChem CID 23274278) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-tert-butyl-5-methylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-tert-butyl-5-methylphenyl) N-methylcarbamate
PubChem CID23274278
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3-tert-butyl-5-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-10(13(2,3)4)8-11(7-9)16-12(15)14-5/h6-8H,1-5H3,(H,14,15)
InChIKeyRZHKEMZIQUFPOU-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716
ethyl 4-[2-[3-tert-butyl-5-(methylcarbamoyloxy)phenyl]propan-2-yl]decanoate
CID 23424473
[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane
CID 23621749
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(3,5-dimethylphenyl) N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672361
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
CID 17521
[3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)phenyl] N-methylcarbamate
CID 87064360
[3-methyl-5-(trifluoromethyl)phenyl] 2,2-dimethylbutanoate
CID 59148809

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methylphenyl) N-methylcarbamate?
The IUPAC name of (3-tert-butyl-5-methylphenyl) N-methylcarbamate (CID 23274278) is (3-tert-butyl-5-methylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-tert-butyl-5-methylphenyl) N-methylcarbamate?
The canonical SMILES for (3-tert-butyl-5-methylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)cc(C(C)(C)C)c1.
What is the InChIKey of (3-tert-butyl-5-methylphenyl) N-methylcarbamate?
The InChIKey is RZHKEMZIQUFPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-10(13(2,3)4)8-11(7-9)16-12(15)14-5/h6-8H,1-5H3,(H,14,15).
What are the key properties of (3-tert-butyl-5-methylphenyl) N-methylcarbamate?
(3-tert-butyl-5-methylphenyl) N-methylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methylphenyl) N-methylcarbamate is sourced from PubChem (CID 23274278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).