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

C22H28FNO3 — CID 67166481

IUPACtert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1F)Cc1cccc(CCO)c1
InChIInChI=1S/C22H28FNO3/c1-22(2,3)27-21(26)24(13-11-19-9-4-5-10-20(19)23)16-18-8-6-7-17(15-18)12-14-25/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyNGULBVVYVCSUOH-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.34
Rot. Bonds7

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

tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (PubChem CID 67166481) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
PubChem CID67166481
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Nametert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1F)Cc1cccc(CCO)c1
InChIInChI=1S/C22H28FNO3/c1-22(2,3)27-21(26)24(13-11-19-9-4-5-10-20(19)23)16-18-8-6-7-17(15-18)12-14-25/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyNGULBVVYVCSUOH-UHFFFAOYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-((3-(2-hydroxyethyl)phenyl)methyl)carbamate
CID 72207051
Tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 19084679
(2S,3S)-1-t-Butyloxycarbonyl-3-hydroxy-2-phenylpiperidine
CID 10901890
tert-Butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 11140388
Rac-(2R,4R,5R)-tert-butyl 4-fluoro-5-hydroxy-2-(p-tolyl)piperidine-1-carboxylate
CID 132919078
tert-butyl (2S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 11300376
(r)-2-(N-boc-N-methylamino)-2-phenylethanol
CID 10911980
tert-Butyl (2R,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 11701834
tert-butyl 5-(2-hydroxyethyl)-2,3-dihydro-1H-isoindole-2-carboxylate
CID 68893484
1-[(4-Fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 24713118
1-[(2-Fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol
CID 24713351
tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 53342230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (CID 67166481) is tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N(CCc1ccccc1F)Cc1cccc(CCO)c1.
What is the InChIKey of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The InChIKey is NGULBVVYVCSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-22(2,3)27-21(26)24(13-11-19-9-4-5-10-20(19)23)16-18-8-6-7-17(15-18)12-14-25/h4-10,15,25H,11-14,16H2,1-3H3.
What are the key properties of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate has a molecular weight of 373.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 67166481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).