(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide

C17H24F2N2O2 — CID 94590779

IUPAC(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(C)(C)C)N1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C17H24F2N2O2/c1-11(15(22)20-17(2,3)4)21-9-5-6-12-10-13(23-16(18)19)7-8-14(12)21/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,22)/t11-/m1/s1
InChIKeyRPBFNPHFHUELCF-LLVKDONJSA-N
MW326.39 g/mol
LogP3.34
Rot. Bonds4

About (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide

(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide (PubChem CID 94590779) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide
PubChem CID94590779
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(C)(C)C)N1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C17H24F2N2O2/c1-11(15(22)20-17(2,3)4)21-9-5-6-12-10-13(23-16(18)19)7-8-14(12)21/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,22)/t11-/m1/s1
InChIKeyRPBFNPHFHUELCF-LLVKDONJSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide (CID 94590779) is (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide is C[C@H](C(=O)NC(C)(C)C)N1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The InChIKey is RPBFNPHFHUELCF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-11(15(22)20-17(2,3)4)21-9-5-6-12-10-13(23-16(18)19)7-8-14(12)21/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide has a molecular weight of 326.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide is sourced from PubChem (CID 94590779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).