[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate

C20H23NO4 — CID 3585051

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
SMILESCC(OC(=O)COc1cccc2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C20H23NO4/c1-14(20(23)21-16-9-3-4-10-16)25-19(22)13-24-18-12-6-8-15-7-2-5-11-17(15)18/h2,5-8,11-12,14,16H,3-4,9-10,13H2,1H3,(H,21,23)
InChIKeyZWYHVKJTBDEMFX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.21
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate (PubChem CID 3585051) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
PubChem CID3585051
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
SMILESCC(OC(=O)COc1cccc2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C20H23NO4/c1-14(20(23)21-16-9-3-4-10-16)25-19(22)13-24-18-12-6-8-15-7-2-5-11-17(15)18/h2,5-8,11-12,14,16H,3-4,9-10,13H2,1H3,(H,21,23)
InChIKeyZWYHVKJTBDEMFX-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate
CID 2445348
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598408
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate (CID 3585051) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate is CC(OC(=O)COc1cccc2ccccc12)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate?
The InChIKey is ZWYHVKJTBDEMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(20(23)21-16-9-3-4-10-16)25-19(22)13-24-18-12-6-8-15-7-2-5-11-17(15)18/h2,5-8,11-12,14,16H,3-4,9-10,13H2,1H3,(H,21,23).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate has a molecular weight of 341.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 3585051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).