[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate

C25H24N2O4 — CID 9018254

IUPAC[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-11-13-20(14-12-18)25(30)31-17-23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyUONVDHJLZNGZHA-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.76
Rot. Bonds8

About [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate

[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate (PubChem CID 9018254) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
PubChem CID9018254
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-11-13-20(14-12-18)25(30)31-17-23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyUONVDHJLZNGZHA-UHFFFAOYSA-N
XLogP3.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46511969
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119676959
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 29387354
ethyl 2-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]sulfanylacetate
CID 8594862
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate?
The IUPAC name of [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate (CID 9018254) is [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate?
The InChIKey is UONVDHJLZNGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-11-13-20(14-12-18)25(30)31-17-23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate?
[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate has a molecular weight of 416.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate is sourced from PubChem (CID 9018254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).