tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate

C21H25FN2O3 — CID 69267743

IUPACtert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O3/c1-21(2,3)27-20(26)24-18(16-7-5-4-6-8-16)19(25)23-14-13-15-9-11-17(22)12-10-15/h4-12,18H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1
InChIKeyCTMHQBXQVNILKR-SFHVURJKSA-N
MW372.44 g/mol
LogP3.75
Rot. Bonds6

About tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate

tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 69267743) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
PubChem CID69267743
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Nametert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O3/c1-21(2,3)27-20(26)24-18(16-7-5-4-6-8-16)19(25)23-14-13-15-9-11-17(22)12-10-15/h4-12,18H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1
InChIKeyCTMHQBXQVNILKR-SFHVURJKSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[(1S)-2-[2-[[10-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]ethylamino]-10-oxodeca-4,6-diynoyl]amino]ethylamino]-2-oxo-1-phenylethyl]carbamate
CID 153190765
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate (CID 69267743) is tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is CTMHQBXQVNILKR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-21(2,3)27-20(26)24-18(16-7-5-4-6-8-16)19(25)23-14-13-15-9-11-17(22)12-10-15/h4-12,18H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate?
tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 372.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 69267743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).