tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate

C21H26FNO3 — CID 67164191

IUPACtert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1F
InChIInChI=1S/C21H26FNO3/c1-21(2,3)26-20(25)23(15-18-9-4-5-10-19(18)22)14-17-8-6-7-16(13-17)11-12-24/h4-10,13,24H,11-12,14-15H2,1-3H3
InChIKeyPMIYHGDXAAFMOW-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate

tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (PubChem CID 67164191) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
PubChem CID67164191
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Nametert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1F
InChIInChI=1S/C21H26FNO3/c1-21(2,3)26-20(25)23(15-18-9-4-5-10-19(18)22)14-17-8-6-7-16(13-17)11-12-24/h4-10,13,24H,11-12,14-15H2,1-3H3
InChIKeyPMIYHGDXAAFMOW-UHFFFAOYSA-N
XLogP4.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (CID 67164191) is tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1F.
What is the InChIKey of tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The InChIKey is PMIYHGDXAAFMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-21(2,3)26-20(25)23(15-18-9-4-5-10-19(18)22)14-17-8-6-7-16(13-17)11-12-24/h4-10,13,24H,11-12,14-15H2,1-3H3.
What are the key properties of tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate has a molecular weight of 359.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-fluorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 67164191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).