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Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate

C17H25FN2O3 — CID 54757476

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c1-11(2)14(20-16(22)23-17(3,4)5)15(21)19-10-12-6-8-13(18)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyDEKMUFHNSOZRMC-CQSZACIVSA-N
MW324.40 g/mol
LogP2.99
Rot. Bonds5

About Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 54757476) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID54757476
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c1-11(2)14(20-16(22)23-17(3,4)5)15(21)19-10-12-6-8-13(18)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyDEKMUFHNSOZRMC-CQSZACIVSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 54757476) is tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is DEKMUFHNSOZRMC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)14(20-16(22)23-17(3,4)5)15(21)19-10-12-6-8-13(18)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 54757476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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