[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate

C23H34N2O3 — CID 2387598

IUPAC[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C23H34N2O3/c1-24(2)19-15-13-18(14-16-19)23(27)28-17-22(26)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-16,20-21H,3-12,17H2,1-2H3
InChIKeyOQGZATMJACQLNI-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.40
Rot. Bonds6

About [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2387598) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2387598
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C23H34N2O3/c1-24(2)19-15-13-18(14-16-19)23(27)28-17-22(26)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-16,20-21H,3-12,17H2,1-2H3
InChIKeyOQGZATMJACQLNI-UHFFFAOYSA-N
XLogP4.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate with MolForge

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Related Compounds

[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 51482736
[2-(dicyclohexylamino)-2-oxoethyl] 4-iodobenzoate
CID 2388025
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453
[2-(dicyclohexylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 55310534
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
[2-(dicyclohexylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2411143
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-bromobenzoate
CID 42978566
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-aminobenzoate
CID 9045623
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416038
[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416033

Frequently Asked Questions

What is the IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2387598) is [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is OQGZATMJACQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-24(2)19-15-13-18(14-16-19)23(27)28-17-22(26)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-16,20-21H,3-12,17H2,1-2H3.
What are the key properties of [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 386.54 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2387598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).