[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

C25H24N2O6 — CID 108927830

IUPAC[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C25H24N2O6/c1-3-31-22-12-4-5-13-23(22)32-16-24(29)26-19-9-7-10-20(15-19)27-25(30)18-8-6-11-21(14-18)33-17(2)28/h4-15H,3,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyGAGGLTSGQPJTBZ-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.28
Rot. Bonds9

About [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927830) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927830
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C25H24N2O6/c1-3-31-22-12-4-5-13-23(22)32-16-24(29)26-19-9-7-10-20(15-19)27-25(30)18-8-6-11-21(14-18)33-17(2)28/h4-15H,3,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyGAGGLTSGQPJTBZ-UHFFFAOYSA-N
XLogP4.28
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
[3-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927910
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
CID 17341793
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108541135
N-(2-ethoxyphenyl)-3-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
CID 11841398

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (CID 108927830) is [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is CCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)=O)c2)c1.
What is the InChIKey of [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is GAGGLTSGQPJTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-3-31-22-12-4-5-13-23(22)32-16-24(29)26-19-9-7-10-20(15-19)27-25(30)18-8-6-11-21(14-18)33-17(2)28/h4-15H,3,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 448.48 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).