tert-butyl N-(2,5-dimethylphenyl)carbamate

C13H19NO2 — CID 4935481

IUPACtert-butyl N-(2,5-dimethylphenyl)carbamate
SMILESCc1ccc(C)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-7-10(2)11(8-9)14-12(15)16-13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChIKeyAVYPJUZNNYDNPS-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl N-(2,5-dimethylphenyl)carbamate

tert-butyl N-(2,5-dimethylphenyl)carbamate (PubChem CID 4935481) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is tert-butyl N-(2,5-dimethylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dimethylphenyl)carbamate
PubChem CID4935481
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-(2,5-dimethylphenyl)carbamate
SMILESCc1ccc(C)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-7-10(2)11(8-9)14-12(15)16-13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChIKeyAVYPJUZNNYDNPS-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonic acid
CID 118978078
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[5-(isocyanatomethyl)-2-methylphenyl]carbamate
CID 117114762
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
ethyl 3-(2,5-dimethylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
CID 86801205
ethyl (2S)-3-(2,5-dimethylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
CID 99787386
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9383782
tert-butyl N-[2-[(2,5-dimethylanilino)methyl]-3-methylbutyl]carbamate
CID 107441111
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dimethylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dimethylphenyl)carbamate (CID 4935481) is tert-butyl N-(2,5-dimethylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dimethylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dimethylphenyl)carbamate is Cc1ccc(C)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(2,5-dimethylphenyl)carbamate?
The InChIKey is AVYPJUZNNYDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-7-10(2)11(8-9)14-12(15)16-13(3,4)5/h6-8H,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(2,5-dimethylphenyl)carbamate?
tert-butyl N-(2,5-dimethylphenyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dimethylphenyl)carbamate is sourced from PubChem (CID 4935481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).