[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

C18H25NO5 — CID 2343743

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-22-15-9-8-13(10-16(15)23-2)11-18(21)24-12-17(20)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,20)
InChIKeyHQEQGQZPMNMBTM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.24
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 2343743) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID2343743
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-22-15-9-8-13(10-16(15)23-2)11-18(21)24-12-17(20)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,20)
InChIKeyHQEQGQZPMNMBTM-UHFFFAOYSA-N
XLogP2.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)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-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 2343743) is [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is HQEQGQZPMNMBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-15-9-8-13(10-16(15)23-2)11-18(21)24-12-17(20)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 335.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 2343743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).