ethyl 4-(benzoylcarbamoyl)benzoate

C17H15NO4 — CID 139262848

IUPACethyl 4-(benzoylcarbamoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-2-22-17(21)14-10-8-13(9-11-14)16(20)18-15(19)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,19,20)
InChIKeyUCLXLSDMFBEXAJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.43
Rot. Bonds4

About ethyl 4-(benzoylcarbamoyl)benzoate

ethyl 4-(benzoylcarbamoyl)benzoate (PubChem CID 139262848) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 4-(benzoylcarbamoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(benzoylcarbamoyl)benzoate
PubChem CID139262848
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Nameethyl 4-(benzoylcarbamoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-2-22-17(21)14-10-8-13(9-11-14)16(20)18-15(19)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,19,20)
InChIKeyUCLXLSDMFBEXAJ-UHFFFAOYSA-N
XLogP2.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
4-((((Benzyloxy)carbonyl)amino)methyl)benzoic acid
CID 1479997
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
Ethyl 4-(aminomethyl)benzoate
CID 436161
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
Methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate
CID 2364636
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991
methyl 4-[(R)-benzamido-[(1R,2R)-1,2-dipropylcyclopropyl]methyl]benzoate
CID 5461310
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate
CID 6022215
(2-Benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472903

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzoylcarbamoyl)benzoate?
The IUPAC name of ethyl 4-(benzoylcarbamoyl)benzoate (CID 139262848) is ethyl 4-(benzoylcarbamoyl)benzoate.
What is the SMILES notation for ethyl 4-(benzoylcarbamoyl)benzoate?
The canonical SMILES for ethyl 4-(benzoylcarbamoyl)benzoate is CCOC(=O)c1ccc(C(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-(benzoylcarbamoyl)benzoate?
The InChIKey is UCLXLSDMFBEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-22-17(21)14-10-8-13(9-11-14)16(20)18-15(19)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,19,20).
What are the key properties of ethyl 4-(benzoylcarbamoyl)benzoate?
ethyl 4-(benzoylcarbamoyl)benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzoylcarbamoyl)benzoate is sourced from PubChem (CID 139262848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).