[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

C25H24N2O5 — CID 108927655

IUPAC[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3cccc(OC(C)=O)c3)cc2)cc1
InChIInChI=1S/C25H24N2O5/c1-3-31-22-13-7-18(8-14-22)15-24(29)26-20-9-11-21(12-10-20)27-25(30)19-5-4-6-23(16-19)32-17(2)28/h4-14,16H,3,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBKKDOOABZVFNKF-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.44
Rot. Bonds8

About [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927655) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927655
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3cccc(OC(C)=O)c3)cc2)cc1
InChIInChI=1S/C25H24N2O5/c1-3-31-22-13-7-18(8-14-22)15-24(29)26-20-9-11-21(12-10-20)27-25(30)19-5-4-6-23(16-19)32-17(2)28/h4-14,16H,3,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBKKDOOABZVFNKF-UHFFFAOYSA-N
XLogP4.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723
[3-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927597
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate
CID 1243978
[3-[[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928447
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
[3-[[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927714
[3-[[4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928317
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927830

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (CID 108927655) is [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3cccc(OC(C)=O)c3)cc2)cc1.
What is the InChIKey of [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is BKKDOOABZVFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-3-31-22-13-7-18(8-14-22)15-24(29)26-20-9-11-21(12-10-20)27-25(30)19-5-4-6-23(16-19)32-17(2)28/h4-14,16H,3,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 432.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).