[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate

C25H22N2O5 — CID 32959940

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
SMILESO=C(COC(=O)c1cccc(NC(=O)C2CC2)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c28-23(26-19-11-13-22(14-12-19)32-21-7-2-1-3-8-21)16-31-25(30)18-5-4-6-20(15-18)27-24(29)17-9-10-17/h1-8,11-15,17H,9-10,16H2,(H,26,28)(H,27,29)
InChIKeyBBIXOBDVIKQRPF-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.62
Rot. Bonds8

About [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate

[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate (PubChem CID 32959940) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
PubChem CID32959940
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
SMILESO=C(COC(=O)c1cccc(NC(=O)C2CC2)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c28-23(26-19-11-13-22(14-12-19)32-21-7-2-1-3-8-21)16-31-25(30)18-5-4-6-20(15-18)27-24(29)17-9-10-17/h1-8,11-15,17H,9-10,16H2,(H,26,28)(H,27,29)
InChIKeyBBIXOBDVIKQRPF-UHFFFAOYSA-N
XLogP4.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960065
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32959819
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960391
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate (CID 32959940) is [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate is O=C(COC(=O)c1cccc(NC(=O)C2CC2)c1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
The InChIKey is BBIXOBDVIKQRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c28-23(26-19-11-13-22(14-12-19)32-21-7-2-1-3-8-21)16-31-25(30)18-5-4-6-20(15-18)27-24(29)17-9-10-17/h1-8,11-15,17H,9-10,16H2,(H,26,28)(H,27,29).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate has a molecular weight of 430.46 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 32959940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).