tert-butyl carbamate;1-methyl-4-phenylbenzene

C18H23NO2 — CID 174572065

IUPACtert-butyl carbamate;1-methyl-4-phenylbenzene
SMILESCC(C)(C)OC(N)=O.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12.C5H11NO2/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-5(2,3)8-4(6)7/h2-10H,1H3;1-3H3,(H2,6,7)
InChIKeyJQTICJDBISOOLU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.54
Rot. Bonds1

About tert-butyl carbamate;1-methyl-4-phenylbenzene

tert-butyl carbamate;1-methyl-4-phenylbenzene (PubChem CID 174572065) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl carbamate;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Nametert-butyl carbamate;1-methyl-4-phenylbenzene
PubChem CID174572065
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nametert-butyl carbamate;1-methyl-4-phenylbenzene
SMILESCC(C)(C)OC(N)=O.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12.C5H11NO2/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-5(2,3)8-4(6)7/h2-10H,1H3;1-3H3,(H2,6,7)
InChIKeyJQTICJDBISOOLU-UHFFFAOYSA-N
XLogP4.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
tert-butyl carbamate;propylbenzene
CID 146635957
tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
tert-butyl carbamate;2-phenylquinoline
CID 175279486
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
1,1-diphenylethyl carbamate
CID 20976713
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
tert-butyl carbamate;2-(2-methylpropoxy)propyl propanoate;toluene
CID 145115480
tert-butyl carbamate;molecular nitrogen
CID 176888665
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;1-methyl-4-phenylbenzene?
The IUPAC name of tert-butyl carbamate;1-methyl-4-phenylbenzene (CID 174572065) is tert-butyl carbamate;1-methyl-4-phenylbenzene.
What is the SMILES notation for tert-butyl carbamate;1-methyl-4-phenylbenzene?
The canonical SMILES for tert-butyl carbamate;1-methyl-4-phenylbenzene is CC(C)(C)OC(N)=O.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl carbamate;1-methyl-4-phenylbenzene?
The InChIKey is JQTICJDBISOOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C5H11NO2/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-5(2,3)8-4(6)7/h2-10H,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;1-methyl-4-phenylbenzene?
tert-butyl carbamate;1-methyl-4-phenylbenzene has a molecular weight of 285.39 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;1-methyl-4-phenylbenzene is sourced from PubChem (CID 174572065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).