[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C21H25NO4 — CID 2583275

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2ccccc2c1)NCC1CCCCC1
InChIInChI=1S/C21H25NO4/c23-20(22-13-16-6-2-1-3-7-16)14-26-21(24)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,22,23)
InChIKeyWDUITXUQHOEVLY-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.46
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 2583275) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID2583275
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2ccccc2c1)NCC1CCCCC1
InChIInChI=1S/C21H25NO4/c23-20(22-13-16-6-2-1-3-7-16)14-26-21(24)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,22,23)
InChIKeyWDUITXUQHOEVLY-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 2382552
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 16895598
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-naphthalen-2-yloxyacetate
CID 4611696
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55315732

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 2583275) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is O=C(COC(=O)COc1ccc2ccccc2c1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is WDUITXUQHOEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-20(22-13-16-6-2-1-3-7-16)14-26-21(24)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,22,23).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 355.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 2583275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).