ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate

C22H25NO4 — CID 20969080

IUPACethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C22H25NO4/c1-2-27-22(26)19(16-17-10-5-3-6-11-17)23-21(25)15-9-14-20(24)18-12-7-4-8-13-18/h3-8,10-13,19H,2,9,14-16H2,1H3,(H,23,25)
InChIKeyKLASYVUNFKLVGR-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.33
Rot. Bonds10

About ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate

ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate (PubChem CID 20969080) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate
PubChem CID20969080
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C22H25NO4/c1-2-27-22(26)19(16-17-10-5-3-6-11-17)23-21(25)15-9-14-20(24)18-12-7-4-8-13-18/h3-8,10-13,19H,2,9,14-16H2,1H3,(H,23,25)
InChIKeyKLASYVUNFKLVGR-UHFFFAOYSA-N
XLogP3.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate (CID 20969080) is ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate?
The InChIKey is KLASYVUNFKLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-27-22(26)19(16-17-10-5-3-6-11-17)23-21(25)15-9-14-20(24)18-12-7-4-8-13-18/h3-8,10-13,19H,2,9,14-16H2,1H3,(H,23,25).
What are the key properties of ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate?
ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate has a molecular weight of 367.45 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 20969080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).