ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate

C19H19NO4 — CID 91507255

IUPACethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate
SMILESCCOC(=O)CCC(=O)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-24-18(22)13-12-17(21)20-19(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,21,23)
InChIKeyDOTCXHCSYJKQFT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.95
Rot. Bonds6

About ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate

ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate (PubChem CID 91507255) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate
PubChem CID91507255
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate
SMILESCCOC(=O)CCC(=O)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-24-18(22)13-12-17(21)20-19(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,21,23)
InChIKeyDOTCXHCSYJKQFT-UHFFFAOYSA-N
XLogP2.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate (CID 91507255) is ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate is CCOC(=O)CCC(=O)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate?
The InChIKey is DOTCXHCSYJKQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-24-18(22)13-12-17(21)20-19(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,21,23).
What are the key properties of ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate?
ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate has a molecular weight of 325.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate is sourced from PubChem (CID 91507255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).