[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

C20H29NO4 — CID 24982819

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OCC(=O)NCC2CCCCC2)c(C)c1
InChIInChI=1S/C20H29NO4/c1-14-9-15(2)20(16(3)10-14)25-13-19(23)24-12-18(22)21-11-17-7-5-4-6-8-17/h9-10,17H,4-8,11-13H2,1-3H3,(H,21,22)
InChIKeyKIYLUUXAWCFRJW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.23
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 24982819) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID24982819
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OCC(=O)NCC2CCCCC2)c(C)c1
InChIInChI=1S/C20H29NO4/c1-14-9-15(2)20(16(3)10-14)25-13-19(23)24-12-18(22)21-11-17-7-5-4-6-8-17/h9-10,17H,4-8,11-13H2,1-3H3,(H,21,22)
InChIKeyKIYLUUXAWCFRJW-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (CID 24982819) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is Cc1cc(C)c(OCC(=O)OCC(=O)NCC2CCCCC2)c(C)c1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is KIYLUUXAWCFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14-9-15(2)20(16(3)10-14)25-13-19(23)24-12-18(22)21-11-17-7-5-4-6-8-17/h9-10,17H,4-8,11-13H2,1-3H3,(H,21,22).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 347.46 g/mol, XLogP of 3.23, 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-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 24982819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).