[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate

C24H23NO3 — CID 23597756

IUPAC[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-3-18-9-11-21(12-10-18)24(27)28-22-15-13-20(14-16-22)23(26)25-17(2)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,25,26)
InChIKeyWBUQPULWUVGZMG-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.96
Rot. Bonds6

About [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate

[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate (PubChem CID 23597756) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
PubChem CID23597756
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-3-18-9-11-21(12-10-18)24(27)28-22-15-13-20(14-16-22)23(26)25-17(2)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,25,26)
InChIKeyWBUQPULWUVGZMG-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
CID 690409
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate?
The IUPAC name of [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate (CID 23597756) is [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate.
What is the SMILES notation for [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate?
The canonical SMILES for [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate is CCc1ccc(C(=O)Oc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate?
The InChIKey is WBUQPULWUVGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-3-18-9-11-21(12-10-18)24(27)28-22-15-13-20(14-16-22)23(26)25-17(2)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,25,26).
What are the key properties of [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate?
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate has a molecular weight of 373.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate is sourced from PubChem (CID 23597756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).