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

C23H30FNO3 — CID 67164816

IUPACtert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1cccc(CCO)c1)CCc1ccccc1F
InChIInChI=1S/C23H30FNO3/c1-23(2,3)28-22(27)25(15-12-20-9-4-5-10-21(20)24)14-11-18-7-6-8-19(17-18)13-16-26/h4-10,17,26H,11-16H2,1-3H3
InChIKeyDFMAHZCAODYAJX-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.38
Rot. Bonds8

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

tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate (PubChem CID 67164816) has the molecular formula C23H30FNO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate
PubChem CID67164816
Molecular FormulaC23H30FNO3
Molecular Weight387.50 g/mol
Exact Mass387.22
IUPAC Nametert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1cccc(CCO)c1)CCc1ccccc1F
InChIInChI=1S/C23H30FNO3/c1-23(2,3)28-22(27)25(15-12-20-9-4-5-10-21(20)24)14-11-18-7-6-8-19(17-18)13-16-26/h4-10,17,26H,11-16H2,1-3H3
InChIKeyDFMAHZCAODYAJX-UHFFFAOYSA-N
XLogP4.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-Butyl 4-(3-(hydroxymethyl)phenyl)piperidine-1-carboxylate
CID 58533474
tert-Butyl (3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 10018204
Tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 19084679
tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 85470656
Tert-butyl 4-benzyl-4-hydroxypiperidine-1-carboxylate
CID 10493799
tert-butyl (R)-2-((R)-2-hydroxy-1-phenylethyl)piperidine-1-carboxylate
CID 10780918
trans-tert-Butyl 3-benzyl-4-hydroxypiperidine-1-carboxylate
CID 69059365
trans-tert-Butyl 4-hydroxy-3-phenylpiperidine-1-carboxylate
CID 69608786
2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736712
Ethyl 4-[bis(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 2724435
Tert-butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate
CID 10614840
Tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate
CID 10639655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate (CID 67164816) is tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)N(CCc1cccc(CCO)c1)CCc1ccccc1F.
What is the InChIKey of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate?
The InChIKey is DFMAHZCAODYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3/c1-23(2,3)28-22(27)25(15-12-20-9-4-5-10-21(20)24)14-11-18-7-6-8-19(17-18)13-16-26/h4-10,17,26H,11-16H2,1-3H3.
What are the key properties of tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate has a molecular weight of 387.50 g/mol, XLogP of 4.38, 8 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-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 67164816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).