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

C22H23NO4 — CID 55338982

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H23NO4/c1-2-4-15-7-9-16(10-8-15)20(24)14-27-22(26)18-5-3-6-19(13-18)23-21(25)17-11-12-17/h3,5-10,13,17H,2,4,11-12,14H2,1H3,(H,23,25)
InChIKeyZYLHUTBSDLCYDL-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.03
Rot. Bonds8

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

[2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate (PubChem CID 55338982) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate
PubChem CID55338982
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H23NO4/c1-2-4-15-7-9-16(10-8-15)20(24)14-27-22(26)18-5-3-6-19(13-18)23-21(25)17-11-12-17/h3,5-10,13,17H,2,4,11-12,14H2,1H3,(H,23,25)
InChIKeyZYLHUTBSDLCYDL-UHFFFAOYSA-N
XLogP4.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)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-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32961313
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 55338879
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32959819
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
CID 34030665
[2-oxo-2-(4-phenylanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960065
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 18206257
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32959940
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960391

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate (CID 55338982) is [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate is CCCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
The InChIKey is ZYLHUTBSDLCYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-4-15-7-9-16(10-8-15)20(24)14-27-22(26)18-5-3-6-19(13-18)23-21(25)17-11-12-17/h3,5-10,13,17H,2,4,11-12,14H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate?
[2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate has a molecular weight of 365.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 3-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 55338982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).