tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate

C18H29FN2O2 — CID 97253959

IUPACtert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate
SMILESC[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCCc1ccccc1F
InChIInChI=1S/C18H29FN2O2/c1-13(12-14(2)21-17(22)23-18(3,4)5)20-11-10-15-8-6-7-9-16(15)19/h6-9,13-14,20H,10-12H2,1-5H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyOEFKDZZTXCQPOH-ZIAGYGMSSA-N
MW324.44 g/mol
LogP3.65
Rot. Bonds7

About tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate

tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate (PubChem CID 97253959) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate
PubChem CID97253959
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate
SMILESC[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCCc1ccccc1F
InChIInChI=1S/C18H29FN2O2/c1-13(12-14(2)21-17(22)23-18(3,4)5)20-11-10-15-8-6-7-9-16(15)19/h6-9,13-14,20H,10-12H2,1-5H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyOEFKDZZTXCQPOH-ZIAGYGMSSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 110409696
methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
CID 43536690
tert-butyl N-[3-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111361096
tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
CID 76826502
(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7020831
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl 2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetate
CID 111785937
tert-butyl N-[1-cyclopropyl-2-[(2-fluorophenyl)methylamino]ethyl]carbamate
CID 103872299
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate (CID 97253959) is tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate is C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCCc1ccccc1F.
What is the InChIKey of tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate?
The InChIKey is OEFKDZZTXCQPOH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-13(12-14(2)21-17(22)23-18(3,4)5)20-11-10-15-8-6-7-9-16(15)19/h6-9,13-14,20H,10-12H2,1-5H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate?
tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate has a molecular weight of 324.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 97253959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).