[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate

C22H27NO3 — CID 2625308

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)NC1CCCCCCC1
InChIInChI=1S/C22H27NO3/c24-21(23-19-12-4-2-1-3-5-13-19)16-26-22(25)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19H,1-5,12-13,15-16H2,(H,23,24)
InChIKeyDWWXPUJXHMXVDG-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.15
Rot. Bonds5

About [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2625308) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2625308
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)NC1CCCCCCC1
InChIInChI=1S/C22H27NO3/c24-21(23-19-12-4-2-1-3-5-13-19)16-26-22(25)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19H,1-5,12-13,15-16H2,(H,23,24)
InChIKeyDWWXPUJXHMXVDG-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 2625137
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
[2-(cyclopentylamino)-2-oxoethyl] anthracene-9-carboxylate
CID 2511548
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2625308) is [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate is O=C(COC(=O)Cc1cccc2ccccc12)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is DWWXPUJXHMXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c24-21(23-19-12-4-2-1-3-5-13-19)16-26-22(25)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19H,1-5,12-13,15-16H2,(H,23,24).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 353.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2625308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).