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

C20H22N2O6 — CID 108927894

IUPAC[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCOCCOCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C20H22N2O6/c1-14(23)28-18-8-3-5-15(11-18)20(25)22-17-7-4-6-16(12-17)21-19(24)13-27-10-9-26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDFTGKFFAMOCOAS-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.47
Rot. Bonds9

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

[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927894) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927894
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCOCCOCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C20H22N2O6/c1-14(23)28-18-8-3-5-15(11-18)20(25)22-17-7-4-6-16(12-17)21-19(24)13-27-10-9-26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDFTGKFFAMOCOAS-UHFFFAOYSA-N
XLogP2.47
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927830
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
[3-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927910
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
CID 108922770
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211
[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723
[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927824

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (CID 108927894) is [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is COCCOCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)=O)c2)c1.
What is the InChIKey of [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is DFTGKFFAMOCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-14(23)28-18-8-3-5-15(11-18)20(25)22-17-7-4-6-16(12-17)21-19(24)13-27-10-9-26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of [3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 386.40 g/mol, XLogP of 2.47, 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-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).