[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate

C18H23NO3 — CID 11077480

IUPAC[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
SMILESCC(=O)O[C@H](CNC(C)C)COc1cccc2ccccc12
InChIInChI=1S/C18H23NO3/c1-13(2)19-11-16(22-14(3)20)12-21-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16,19H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyKIQZYYYXMURMTK-MRXNPFEDSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds7

About [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate

[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate (PubChem CID 11077480) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
PubChem CID11077480
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
SMILESCC(=O)O[C@H](CNC(C)C)COc1cccc2ccccc12
InChIInChI=1S/C18H23NO3/c1-13(2)19-11-16(22-14(3)20)12-21-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16,19H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyKIQZYYYXMURMTK-MRXNPFEDSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 102063111
[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] hydrogen sulfate
CID 14647133
[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] acetate
CID 10425337
[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 4-acetyl-4-nitroso-5-oxohexanoate
CID 18710680
[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 163634845
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 10992414
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propane-2-thiol
CID 142421207
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
sodium (3R,5R,6S)-3,4,5-trihydroxy-6-[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylate
CID 45040288

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate?
The IUPAC name of [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate (CID 11077480) is [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate?
The canonical SMILES for [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate is CC(=O)O[C@H](CNC(C)C)COc1cccc2ccccc12.
What is the InChIKey of [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate?
The InChIKey is KIQZYYYXMURMTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)19-11-16(22-14(3)20)12-21-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16,19H,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate?
[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate has a molecular weight of 301.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate is sourced from PubChem (CID 11077480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).