[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate

C24H30N2O7 — CID 108926915

IUPAC[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
SMILESCCOc1cc(C(=O)NCCNC(=O)c2cccc(OC(C)=O)c2)cc(OCC)c1OCC
InChIInChI=1S/C24H30N2O7/c1-5-30-20-14-18(15-21(31-6-2)22(20)32-7-3)24(29)26-12-11-25-23(28)17-9-8-10-19(13-17)33-16(4)27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyWIPBSJILKHIQGZ-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.97
Rot. Bonds12

About [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate

[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate (PubChem CID 108926915) has the molecular formula C24H30N2O7 and a molecular weight of 458.51 g/mol. Its IUPAC name is [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
PubChem CID108926915
Molecular FormulaC24H30N2O7
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Name[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
SMILESCCOc1cc(C(=O)NCCNC(=O)c2cccc(OC(C)=O)c2)cc(OCC)c1OCC
InChIInChI=1S/C24H30N2O7/c1-5-30-20-14-18(15-21(31-6-2)22(20)32-7-3)24(29)26-12-11-25-23(28)17-9-8-10-19(13-17)33-16(4)27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyWIPBSJILKHIQGZ-UHFFFAOYSA-N
XLogP2.97
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
[3-[2-(ethylsulfonylamino)ethylcarbamoyl]phenyl] acetate
CID 108570460
[3-[3-[(4-aminobenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929458
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate (CID 108926915) is [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate is CCOc1cc(C(=O)NCCNC(=O)c2cccc(OC(C)=O)c2)cc(OCC)c1OCC.
What is the InChIKey of [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
The InChIKey is WIPBSJILKHIQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7/c1-5-30-20-14-18(15-21(31-6-2)22(20)32-7-3)24(29)26-12-11-25-23(28)17-9-8-10-19(13-17)33-16(4)27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate has a molecular weight of 458.51 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108926915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).