ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate

C25H23NO4 — CID 4101602

IUPACethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H23NO4/c1-3-30-25(29)21-14-7-8-15-22(21)26-24(28)17(2)19-12-9-13-20(16-19)23(27)18-10-5-4-6-11-18/h4-17H,3H2,1-2H3,(H,26,28)
InChIKeyNNTNPNIPPQTJOK-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.84
Rot. Bonds7

About ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate

ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate (PubChem CID 4101602) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
PubChem CID4101602
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Nameethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H23NO4/c1-3-30-25(29)21-14-7-8-15-22(21)26-24(28)17(2)19-12-9-13-20(16-19)23(27)18-10-5-4-6-11-18/h4-17H,3H2,1-2H3,(H,26,28)
InChIKeyNNTNPNIPPQTJOK-UHFFFAOYSA-N
XLogP4.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 98001096
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
CID 133164044

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate?
The IUPAC name of ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate (CID 4101602) is ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate?
The InChIKey is NNTNPNIPPQTJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-3-30-25(29)21-14-7-8-15-22(21)26-24(28)17(2)19-12-9-13-20(16-19)23(27)18-10-5-4-6-11-18/h4-17H,3H2,1-2H3,(H,26,28).
What are the key properties of ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate?
ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate has a molecular weight of 401.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate is sourced from PubChem (CID 4101602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).