tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate

C15H21NO3 — CID 117112095

IUPACtert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
SMILESCC(=O)c1cc(C)c(C)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H21NO3/c1-9-7-12(11(3)17)8-13(10(9)2)16-14(18)19-15(4,5)6/h7-8H,1-6H3,(H,16,18)
InChIKeyZYJMTKUEHKKORX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.85
Rot. Bonds2

About tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate

tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate (PubChem CID 117112095) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
PubChem CID117112095
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
SMILESCC(=O)c1cc(C)c(C)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H21NO3/c1-9-7-12(11(3)17)8-13(10(9)2)16-14(18)19-15(4,5)6/h7-8H,1-6H3,(H,16,18)
InChIKeyZYJMTKUEHKKORX-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate
CID 117115554
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
CID 117110963
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-[5-[(1-hydroxycyclopropyl)methyl]-2,3-dimethylphenyl]carbamate
CID 117117530
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate?
The IUPAC name of tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate (CID 117112095) is tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate is CC(=O)c1cc(C)c(C)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate?
The InChIKey is ZYJMTKUEHKKORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-7-12(11(3)17)8-13(10(9)2)16-14(18)19-15(4,5)6/h7-8H,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate?
tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 117112095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).