[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate

C22H19N3O5 — CID 2527993

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O5/c23-22(28)25-17-8-6-15(7-9-17)21(27)29-14-20(26)24-16-10-12-19(13-11-16)30-18-4-2-1-3-5-18/h1-13H,14H2,(H,24,26)(H3,23,25,28)
InChIKeyWDMUMBUGPQUTCK-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.77
Rot. Bonds7

About [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate (PubChem CID 2527993) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
PubChem CID2527993
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O5/c23-22(28)25-17-8-6-15(7-9-17)21(27)29-14-20(26)24-16-10-12-19(13-11-16)30-18-4-2-1-3-5-18/h1-13H,14H2,(H,24,26)(H3,23,25,28)
InChIKeyWDMUMBUGPQUTCK-UHFFFAOYSA-N
XLogP3.77
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate 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

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 2503162
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 4-aminobenzoate
CID 7781322
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7859755
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 44637901
2-methylpropyl 4-[[5-oxo-5-[2-oxo-2-(4-phenoxyanilino)ethoxy]pentanoyl]amino]benzoate
CID 17259886

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate (CID 2527993) is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate is NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate?
The InChIKey is WDMUMBUGPQUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c23-22(28)25-17-8-6-15(7-9-17)21(27)29-14-20(26)24-16-10-12-19(13-11-16)30-18-4-2-1-3-5-18/h1-13H,14H2,(H,24,26)(H3,23,25,28).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate has a molecular weight of 405.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate is sourced from PubChem (CID 2527993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).