tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate

C19H22FNO3 — CID 138971970

IUPACtert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H22FNO3/c1-19(2,3)24-18(22)21-17(14-7-5-4-6-8-14)13-23-16-11-9-15(20)10-12-16/h4-12,17H,13H2,1-3H3,(H,21,22)
InChIKeyYQWGWRRMGOAHDF-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.47
Rot. Bonds5

About tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate

tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate (PubChem CID 138971970) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate
PubChem CID138971970
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Nametert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H22FNO3/c1-19(2,3)24-18(22)21-17(14-7-5-4-6-8-14)13-23-16-11-9-15(20)10-12-16/h4-12,17H,13H2,1-3H3,(H,21,22)
InChIKeyYQWGWRRMGOAHDF-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-Methyl-benzyl)-2-phenoxy-acetamide
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2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
2-(4-Isopropyl-phenoxy)-N-(1-phenyl-ethyl)-acetamide
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(4-Fluorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846620
4-Benzyloxyphenyl-n-butylcarbamate
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1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-(2-phenylethyl)carbamate
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2,4-Difluorophenyl 4-butoxybenzylcarbamate
CID 20872684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate (CID 138971970) is tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(COc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate?
The InChIKey is YQWGWRRMGOAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-19(2,3)24-18(22)21-17(14-7-5-4-6-8-14)13-23-16-11-9-15(20)10-12-16/h4-12,17H,13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate?
tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate has a molecular weight of 331.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluorophenoxy)-1-phenylethyl]carbamate is sourced from PubChem (CID 138971970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).