tert-butyl 4-(dimethylcarbamoyl)benzoate

C14H19NO3 — CID 138647687

IUPACtert-butyl 4-(dimethylcarbamoyl)benzoate
SMILESCN(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(17)11-8-6-10(7-9-11)12(16)15(4)5/h6-9H,1-5H3
InChIKeyQGCGCFMXGPXXME-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.34
Rot. Bonds2

About tert-butyl 4-(dimethylcarbamoyl)benzoate

tert-butyl 4-(dimethylcarbamoyl)benzoate (PubChem CID 138647687) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 4-(dimethylcarbamoyl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylcarbamoyl)benzoate
PubChem CID138647687
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl 4-(dimethylcarbamoyl)benzoate
SMILESCN(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(17)11-8-6-10(7-9-11)12(16)15(4)5/h6-9H,1-5H3
InChIKeyQGCGCFMXGPXXME-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4-[4-(dimethylamino)phenyl]selanylbenzoate
CID 100962863
CID 162139404
CID 162139404
tert-butyl 4-(4-acetylphenyl)benzoate
CID 143956110
tert-butyl 4-(hydroxycarbamoyl)benzoate
CID 164566523
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
tert-butyl 4-(3-bromoprop-1-en-2-yl)benzoate
CID 21473836
tert-butyl 4-isocyanobenzoate
CID 91619162
tert-butyl 4-[amino(dihydroxy)methyl]benzoate
CID 144609982
tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylcarbamoyl)benzoate?
The IUPAC name of tert-butyl 4-(dimethylcarbamoyl)benzoate (CID 138647687) is tert-butyl 4-(dimethylcarbamoyl)benzoate.
What is the SMILES notation for tert-butyl 4-(dimethylcarbamoyl)benzoate?
The canonical SMILES for tert-butyl 4-(dimethylcarbamoyl)benzoate is CN(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-(dimethylcarbamoyl)benzoate?
The InChIKey is QGCGCFMXGPXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)11-8-6-10(7-9-11)12(16)15(4)5/h6-9H,1-5H3.
What are the key properties of tert-butyl 4-(dimethylcarbamoyl)benzoate?
tert-butyl 4-(dimethylcarbamoyl)benzoate has a molecular weight of 249.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylcarbamoyl)benzoate is sourced from PubChem (CID 138647687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).