tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate

C18H21NO2 — CID 22288328

IUPACtert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
SMILESCc1ccccc1-c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H21NO2/c1-13-9-5-6-10-14(13)15-11-7-8-12-16(15)19-17(20)21-18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKeyYSLUYDIENUXXJV-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.01
Rot. Bonds2

About tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate

tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate (PubChem CID 22288328) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
PubChem CID22288328
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
SMILESCc1ccccc1-c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H21NO2/c1-13-9-5-6-10-14(13)15-11-7-8-12-16(15)19-17(20)21-18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKeyYSLUYDIENUXXJV-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
CID 67263638
tert-butyl N-[2-(4-methyl-3-nitrophenyl)phenyl]carbamate
CID 174738872
tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
CID 14267498
tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 122200238
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[2-(5-bromo-2-carbamoyl-3-pyridinyl)phenyl]carbamate
CID 69363019
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 135026210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate (CID 22288328) is tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate is Cc1ccccc1-c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate?
The InChIKey is YSLUYDIENUXXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-9-5-6-10-14(13)15-11-7-8-12-16(15)19-17(20)21-18(2,3)4/h5-12H,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate?
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 5.01, 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-(2-methylphenyl)phenyl]carbamate is sourced from PubChem (CID 22288328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).