[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate

C24H27NO3 — CID 46891264

IUPAC[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(=O)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-24(2,15-18-12-13-19-8-6-7-11-21(19)14-18)25-16-22(26)17-28-23(27)20-9-4-3-5-10-20/h3-14,22,25-26H,15-17H2,1-2H3/t22-/m1/s1
InChIKeyJCRRIDMYYVKEOD-JOCHJYFZSA-N
MW377.48 g/mol
LogP3.97
Rot. Bonds8

About [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate

[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate (PubChem CID 46891264) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate
PubChem CID46891264
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(=O)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-24(2,15-18-12-13-19-8-6-7-11-21(19)14-18)25-16-22(26)17-28-23(27)20-9-4-3-5-10-20/h3-14,22,25-26H,15-17H2,1-2H3/t22-/m1/s1
InChIKeyJCRRIDMYYVKEOD-JOCHJYFZSA-N
XLogP3.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate?
The IUPAC name of [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate (CID 46891264) is [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate?
The canonical SMILES for [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate is CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate?
The InChIKey is JCRRIDMYYVKEOD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(2,15-18-12-13-19-8-6-7-11-21(19)14-18)25-16-22(26)17-28-23(27)20-9-4-3-5-10-20/h3-14,22,25-26H,15-17H2,1-2H3/t22-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate?
[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate has a molecular weight of 377.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl] benzoate is sourced from PubChem (CID 46891264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).