tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate

C15H23NO2 — CID 65142644

IUPACtert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
SMILESCc1cccc(C(C)C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)12-9-7-8-11(3)13(12)16-14(17)18-15(4,5)6/h7-10H,1-6H3,(H,16,17)
InChIKeyZZOSXONKBUSBHP-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.47
Rot. Bonds2

About tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate

tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate (PubChem CID 65142644) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
PubChem CID65142644
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
SMILESCc1cccc(C(C)C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)12-9-7-8-11(3)13(12)16-14(17)18-15(4,5)6/h7-10H,1-6H3,(H,16,17)
InChIKeyZZOSXONKBUSBHP-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
CID 113047064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate (CID 65142644) is tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate is Cc1cccc(C(C)C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate?
The InChIKey is ZZOSXONKBUSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12-9-7-8-11(3)13(12)16-14(17)18-15(4,5)6/h7-10H,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate?
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 65142644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).