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

C17H25FN2O3 — CID 110409696

IUPACtert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H25FN2O3/c1-11(2)14(20-16(22)23-17(3,4)5)15(21)19-10-12-8-6-7-9-13(12)18/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)
InChIKeySKUCRHZVIAZCPS-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.99
Rot. Bonds5

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

tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 110409696) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID110409696
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H25FN2O3/c1-11(2)14(20-16(22)23-17(3,4)5)15(21)19-10-12-8-6-7-9-13(12)18/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)
InChIKeySKUCRHZVIAZCPS-UHFFFAOYSA-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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Related Compounds

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tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
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tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
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tert-butyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
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tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
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tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
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(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 110409696) is tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1F.
What is the InChIKey of tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is SKUCRHZVIAZCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)14(20-16(22)23-17(3,4)5)15(21)19-10-12-8-6-7-9-13(12)18/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[(2-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-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 110409696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).