(2-tert-butylphenyl) N-phenylcarbamate

C17H19NO2 — CID 681743

IUPAC(2-tert-butylphenyl) N-phenylcarbamate
SMILESCC(C)(C)c1ccccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19)
InChIKeyYTOWVQQSNBKYDE-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.59
Rot. Bonds2

About (2-tert-butylphenyl) N-phenylcarbamate

(2-tert-butylphenyl) N-phenylcarbamate (PubChem CID 681743) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2-tert-butylphenyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-tert-butylphenyl) N-phenylcarbamate
PubChem CID681743
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2-tert-butylphenyl) N-phenylcarbamate
SMILESCC(C)(C)c1ccccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19)
InChIKeyYTOWVQQSNBKYDE-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-tert-butylphenyl) benzoate
CID 734595
(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate
CID 91182089
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266389
2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
(2-dodecylphenyl) N-phenylcarbamate
CID 141284635
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
CID 91312207
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) N-phenylcarbamate?
The IUPAC name of (2-tert-butylphenyl) N-phenylcarbamate (CID 681743) is (2-tert-butylphenyl) N-phenylcarbamate.
What is the SMILES notation for (2-tert-butylphenyl) N-phenylcarbamate?
The canonical SMILES for (2-tert-butylphenyl) N-phenylcarbamate is CC(C)(C)c1ccccc1OC(=O)Nc1ccccc1.
What is the InChIKey of (2-tert-butylphenyl) N-phenylcarbamate?
The InChIKey is YTOWVQQSNBKYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19).
What are the key properties of (2-tert-butylphenyl) N-phenylcarbamate?
(2-tert-butylphenyl) N-phenylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) N-phenylcarbamate is sourced from PubChem (CID 681743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).