(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate

C17H15NO4 — CID 2370634

IUPAC(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(N)=O)cc1
InChIInChI=1S/C17H15NO4/c1-11-6-8-12(9-7-11)16(20)13-4-2-3-5-14(13)17(21)22-10-15(18)19/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyTXDNPDLHEPZACX-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.87
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate

(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate (PubChem CID 2370634) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
PubChem CID2370634
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(N)=O)cc1
InChIInChI=1S/C17H15NO4/c1-11-6-8-12(9-7-11)16(20)13-4-2-3-5-14(13)17(21)22-10-15(18)19/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyTXDNPDLHEPZACX-UHFFFAOYSA-N
XLogP1.87
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-methylbenzoyl)benzoate
CID 6533680
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23960508
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 8012815
(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
CID 16556463
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 9202588

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate (CID 2370634) is (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate?
The InChIKey is TXDNPDLHEPZACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-6-8-12(9-7-11)16(20)13-4-2-3-5-14(13)17(21)22-10-15(18)19/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate?
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate has a molecular weight of 297.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2370634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).