benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate

C20H23FN2O2 — CID 103392750

IUPACbenzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCc2ccc(F)cc2)C1)OCc1ccccc1
InChIInChI=1S/C20H23FN2O2/c21-17-8-6-15(7-9-17)10-11-22-18-12-19(13-18)23-20(24)25-14-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14H2,(H,23,24)
InChIKeyMEKYGOQUFYDNSL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.42
Rot. Bonds7

About benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate

benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate (PubChem CID 103392750) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
PubChem CID103392750
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Namebenzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCc2ccc(F)cc2)C1)OCc1ccccc1
InChIInChI=1S/C20H23FN2O2/c21-17-8-6-15(7-9-17)10-11-22-18-12-19(13-18)23-20(24)25-14-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14H2,(H,23,24)
InChIKeyMEKYGOQUFYDNSL-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
CID 103393346
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
CID 103393492
benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392919
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate (CID 103392750) is benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate is O=C(NC1CC(NCCc2ccc(F)cc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
The InChIKey is MEKYGOQUFYDNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-8-6-15(7-9-17)10-11-22-18-12-19(13-18)23-20(24)25-14-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14H2,(H,23,24).
What are the key properties of benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate has a molecular weight of 342.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103392750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).