[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C23H22FNO4 — CID 8667619

IUPAC[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1F
InChIInChI=1S/C23H22FNO4/c1-15(18-9-5-7-17-6-3-4-8-19(17)18)25-22(26)14-29-23(27)13-16-10-11-21(28-2)20(24)12-16/h3-12,15H,13-14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyBFVKCIVCIPADGV-HNNXBMFYSA-N
MW395.43 g/mol
LogP3.95
Rot. Bonds7

About [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667619) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667619
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1F
InChIInChI=1S/C23H22FNO4/c1-15(18-9-5-7-17-6-3-4-8-19(17)18)25-22(26)14-29-23(27)13-16-10-11-21(28-2)20(24)12-16/h3-12,15H,13-14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyBFVKCIVCIPADGV-HNNXBMFYSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667487
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667459
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667630
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46607306
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667457
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667619) is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1F.
What is the InChIKey of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is BFVKCIVCIPADGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-15(18-9-5-7-17-6-3-4-8-19(17)18)25-22(26)14-29-23(27)13-16-10-11-21(28-2)20(24)12-16/h3-12,15H,13-14H2,1-2H3,(H,25,26)/t15-/m0/s1.
What are the key properties of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 395.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).