[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

C20H29NO4 — CID 23884530

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C20H29NO4/c1-15-10-16(2)12-18(11-15)24-14-20(23)25-13-19(22)21-17-8-6-4-3-5-7-9-17/h10-12,17H,3-9,13-14H2,1-2H3,(H,21,22)
InChIKeyXWUYKYIXJGHIMI-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.45
Rot. Bonds6

About [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 23884530) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
PubChem CID23884530
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C20H29NO4/c1-15-10-16(2)12-18(11-15)24-14-20(23)25-13-19(22)21-17-8-6-4-3-5-7-9-17/h10-12,17H,3-9,13-14H2,1-2H3,(H,21,22)
InChIKeyXWUYKYIXJGHIMI-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7439993
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 11904454
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8911653
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790
2-(3,5-dimethylphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2712787

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (CID 23884530) is [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OCC(=O)NC2CCCCCCC2)c1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is XWUYKYIXJGHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15-10-16(2)12-18(11-15)24-14-20(23)25-13-19(22)21-17-8-6-4-3-5-7-9-17/h10-12,17H,3-9,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 347.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 23884530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).