tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate

C15H21FN2O3 — CID 69178935

IUPACtert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate
SMILESCN(C)C(=O)N(Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18(13(19)17(4)5)10-11-6-8-12(16)9-7-11/h6-9H,10H2,1-5H3
InChIKeyFITFVCXJAWURSL-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.24
Rot. Bonds2

About tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate

tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate (PubChem CID 69178935) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate
PubChem CID69178935
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate
SMILESCN(C)C(=O)N(Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18(13(19)17(4)5)10-11-6-8-12(16)9-7-11/h6-9H,10H2,1-5H3
InChIKeyFITFVCXJAWURSL-UHFFFAOYSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate (CID 69178935) is tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate is CN(C)C(=O)N(Cc1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate?
The InChIKey is FITFVCXJAWURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18(13(19)17(4)5)10-11-6-8-12(16)9-7-11/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate?
tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate has a molecular weight of 296.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(dimethylcarbamoyl)-N-[(4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 69178935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).