N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide

C18H20N2O — CID 687228

IUPACN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13-12-18(16-10-6-7-11-17(16)19-13)20(14(2)21)15-8-4-3-5-9-15/h3-11,13,18-19H,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyDAEIGXKHWXBLJL-FZKQIMNGSA-N
MW280.37 g/mol
LogP3.98
Rot. Bonds2

About N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide

N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide (PubChem CID 687228) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
PubChem CID687228
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13-12-18(16-10-6-7-11-17(16)19-13)20(14(2)21)15-8-4-3-5-9-15/h3-11,13,18-19H,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyDAEIGXKHWXBLJL-FZKQIMNGSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide (CID 687228) is N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21.
What is the InChIKey of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide?
The InChIKey is DAEIGXKHWXBLJL-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-12-18(16-10-6-7-11-17(16)19-13)20(14(2)21)15-8-4-3-5-9-15/h3-11,13,18-19H,12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide?
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide has a molecular weight of 280.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 687228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).