[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate

C24H36N2O4 — CID 55737534

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCC1CN(Cc2ccc(C(=O)OCC(=O)NC3CCCCCCC3)cc2)CC(C)O1
InChIInChI=1S/C24H36N2O4/c1-18-14-26(15-19(2)30-18)16-20-10-12-21(13-11-20)24(28)29-17-23(27)25-22-8-6-4-3-5-7-9-22/h10-13,18-19,22H,3-9,14-17H2,1-2H3,(H,25,27)
InChIKeyLPIHWGPKZHEGFK-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.68
Rot. Bonds6

About [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate

[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (PubChem CID 55737534) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
PubChem CID55737534
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCC1CN(Cc2ccc(C(=O)OCC(=O)NC3CCCCCCC3)cc2)CC(C)O1
InChIInChI=1S/C24H36N2O4/c1-18-14-26(15-19(2)30-18)16-20-10-12-21(13-11-20)24(28)29-17-23(27)25-22-8-6-4-3-5-7-9-22/h10-13,18-19,22H,3-9,14-17H2,1-2H3,(H,25,27)
InChIKeyLPIHWGPKZHEGFK-UHFFFAOYSA-N
XLogP3.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate with MolForge

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Related Compounds

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994942
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995848
[2-oxo-2-(1-phenylbutylamino)ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995069
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55734937
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (CID 55737534) is [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is CC1CN(Cc2ccc(C(=O)OCC(=O)NC3CCCCCCC3)cc2)CC(C)O1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The InChIKey is LPIHWGPKZHEGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-18-14-26(15-19(2)30-18)16-20-10-12-21(13-11-20)24(28)29-17-23(27)25-22-8-6-4-3-5-7-9-22/h10-13,18-19,22H,3-9,14-17H2,1-2H3,(H,25,27).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate has a molecular weight of 416.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 55737534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).