[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate

C24H22N2O5 — CID 108928735

IUPAC[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCc2ccccc2NC(=O)COc2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c1-17(27)31-21-12-7-9-18(14-21)24(29)25-15-19-8-5-6-13-22(19)26-23(28)16-30-20-10-3-2-4-11-20/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyVWJLLZWOIWVYPY-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.56
Rot. Bonds8

About [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate

[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate (PubChem CID 108928735) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
PubChem CID108928735
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCc2ccccc2NC(=O)COc2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c1-17(27)31-21-12-7-9-18(14-21)24(29)25-15-19-8-5-6-13-22(19)26-23(28)16-30-20-10-3-2-4-11-20/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyVWJLLZWOIWVYPY-UHFFFAOYSA-N
XLogP3.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.56
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-[[2-[(3,5-dihydroxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928793
[3-[[2-[(4-fluorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928571
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
[3-[[2-[(2-sulfanylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928711
[3-[[2-[(3,4-dichlorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928561
[3-[[2-[(pyrazine-2-carbonylamino)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928778
[3-[[2-[[(2,3,4-trifluorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928766
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-[[2-[[3-(2-methoxyphenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928840
[3-[[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928917
[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928034
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate (CID 108928735) is [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)NCc2ccccc2NC(=O)COc2ccccc2)c1.
What is the InChIKey of [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
The InChIKey is VWJLLZWOIWVYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-17(27)31-21-12-7-9-18(14-21)24(29)25-15-19-8-5-6-13-22(19)26-23(28)16-30-20-10-3-2-4-11-20/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate has a molecular weight of 418.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108928735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).