propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate

C23H24O2 — CID 24773275

IUPACpropan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C23H24O2/c1-17(2)25-23(24)21(15-18-9-4-3-5-10-18)16-20-13-8-12-19-11-6-7-14-22(19)20/h3-14,17,21H,15-16H2,1-2H3/t21-/m1/s1
InChIKeyFZBKKZGXRWNXES-OAQYLSRUSA-N
MW332.44 g/mol
LogP5.19
Rot. Bonds6

About propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate

propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate (PubChem CID 24773275) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
PubChem CID24773275
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Namepropan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C23H24O2/c1-17(2)25-23(24)21(15-18-9-4-3-5-10-18)16-20-13-8-12-19-11-6-7-14-22(19)20/h3-14,17,21H,15-16H2,1-2H3/t21-/m1/s1
InChIKeyFZBKKZGXRWNXES-OAQYLSRUSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoate
CID 10409302
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 141427624
2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoic acid
CID 23212908
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
CID 14252647
(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
CID 2827639

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate?
The IUPAC name of propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate (CID 24773275) is propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate?
The canonical SMILES for propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate is CC(C)OC(=O)[C@H](Cc1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate?
The InChIKey is FZBKKZGXRWNXES-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24O2/c1-17(2)25-23(24)21(15-18-9-4-3-5-10-18)16-20-13-8-12-19-11-6-7-14-22(19)20/h3-14,17,21H,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate?
propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate has a molecular weight of 332.44 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 24773275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).